smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCN1CCN(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)C(=O)C1=O 274978720 WYQISQWQLOAFFV-LLVKDONJSA-N 349.387 -0.164 10 20 EBCD C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1NC(=O)C(N)=O 966533405 JCRYDEOBUPSSSP-KCJUWKMLSA-N 346.347 -0.089 10 20 EBCD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cc(O)cs1 1328492544 SZCRHTLIOVAWTO-MRVPVSSYSA-N 332.403 -0.171 10 20 EBCD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N1CC[C@@H](CO)C1 284050186 MTSNZBMBIAGMHM-OAHLLOKOSA-N 347.415 -0.020 10 20 EBCD C[C@@H](N)[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CCO1 842035796 IZHMEUJBYLYGTB-IUODEOHRSA-N 334.420 -0.057 10 20 EBCD NC[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCO1 842171216 QGDTWIGYUHXOBG-MRXNPFEDSA-N 344.415 -0.135 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCC(=O)NC(N)=O)c1 268250405 WWJIHILPPBROMC-UHFFFAOYSA-N 344.349 -0.922 10 20 EBCD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CN1C(=O)C(=O)N(C)C1=O 274931600 NPMFEMYJLSVRNN-QMMMGPOBSA-N 335.316 -0.434 10 20 EBCD CC(=O)C(=O)CN1c2ccccc2N(CC(=O)C(C)=O)S1(=O)=O 808023272 DKIZPZJAOSUKOK-UHFFFAOYSA-N 338.341 -0.126 10 20 EBCD COc1ccc(N2CCN(CCNC(=O)C[C@H](O)CN)CC2)cc1 1341734313 VUXRUNMKQWRZRZ-HNNXBMFYSA-N 336.436 -0.357 10 20 EBCD CC(=O)C(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 808483743 VIIKDQQDXXGNSK-UHFFFAOYSA-N 334.240 -0.108 10 20 EBCD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1COCCN1 861751799 ZGFXCYZQDHLHKG-CQSZACIVSA-N 334.420 -0.218 10 20 EBCD COc1ccc(O)c([C@@H](C)NC(=O)CN2C(=O)C(=O)N(C)C2=O)c1 761980984 DQSHIZBGHWRSCL-MRVPVSSYSA-N 335.316 -0.001 10 20 EBCD CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@@H](O)[C@@H](CO)C2)cc1 817705317 DFGCLXWNBQVJNF-GDBMZVCRSA-N 349.431 -0.039 10 20 EBCD CN(C)C(=O)Cn1nc2n(c1=O)CCN(Cc1ccc(N)cc1)C2 1352789945 LSQIFXOQJIALKH-UHFFFAOYSA-N 330.392 -0.269 10 20 EBCD CN(Cc1ccccc1O)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 269857753 YLERDHBAWAOBRN-UHFFFAOYSA-N 339.373 -0.390 10 20 EBCD COc1ccc(N(C)CCN(C)C(=O)C(=O)N2CCNC(=O)C2)cc1 846239619 SQJCDSLYUWGBQE-UHFFFAOYSA-N 348.403 -0.452 10 20 EBCD CN1CCN(C)[C@H](CNC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 785439388 NYLCZHLSAJFERW-MRXNPFEDSA-N 347.463 -0.269 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1 1325392298 MWLXTEQJXGQLEC-ZIAGYGMSSA-N 348.403 -0.482 10 20 EBCD O=C(NC[C@H]1C[C@H]2C=C[C@H]1CC2)C(=O)C(=O)C(=O)N[C@@H]1CCNC1 1335282627 JLLNGCBKOSFONP-WUHRBBMRSA-N 333.388 -0.679 10 20 EBCD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H]1CNCCO1 842277608 LUXIHJCGAITBMX-HNNXBMFYSA-N 334.420 -0.184 10 20 EBCD CNS(=O)(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 795804401 ZEOKVACVBHEDQK-GFCCVEGCSA-N 326.422 -0.058 10 20 EBCD NC(=O)C(=O)NCCC1=CCN(c2cc(Cl)c(O)nn2)CC1 1089861936 KEGYLVNBBHHORZ-UHFFFAOYSA-N 325.756 -0.036 10 20 EBCD CN[C@@H](C)CCNC(=O)C(=O)C(=O)C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2 1118120365 WDMHJFTWUSEXSZ-XUXIUFHCSA-N 349.431 -0.043 10 20 EBCD CN(C)c1ccc(CNC(=O)CN2CC[C@@H](S(N)(=O)=O)C2)cc1 769656162 OYAGUYADYNYVMU-CQSZACIVSA-N 340.449 -0.268 10 20 EBCD C[C@@H](CNC(=O)C(=O)N(C)Cc1ccccc1O)S(C)(=O)=O 1117434706 YZMMFKTUPVUGON-JTQLQIEISA-N 328.390 -0.100 10 20 EBCD CCONC(=O)CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C 1326961996 CRPVXJUVVNVJBN-UHFFFAOYSA-N 348.403 -0.131 10 20 EBCD O=C(NCCn1cnc(-c2nn[nH]n2)n1)c1c(F)ccc(O)c1O 1593111942 IUURMIRWPCIXMG-UHFFFAOYSA-N 334.271 -0.562 10 20 EBCD CS(=O)(=O)C1(C(=O)NCc2ccc(O)cc2O)CCNCC1 1579335118 BGRDCFIZEYBZKC-UHFFFAOYSA-N 328.390 -0.119 10 20 EBCD C[C@@H]1CO[C@H](CO)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 770022256 BUKNIGOMGFKMMQ-KOLCDFICSA-N 344.389 -0.015 10 20 EBCD CN(C)c1ccc([C@H](CNC(=O)CN2CCNC(=O)C2)N(C)C)cc1 891247748 UZJOCJCQJRYXIN-INIZCTEOSA-N 347.463 -0.097 10 20 EBCD CN(Cc1ccccc1O)C(=O)C(=O)NCc1nnnn1C1CC1 1261121472 JANZKQDXTSCCFA-UHFFFAOYSA-N 330.348 -0.012 10 20 EBCD Cc1cc(N2CC=C(CCNC(=O)C(N)=O)CC2)n2ncnc2n1 1089861715 DJLXHXIXCGSGHQ-UHFFFAOYSA-N 329.364 -0.439 10 20 EBCD C[C@@H](NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1)c1ccc(N(C)C)cc1 807675787 AOUMBKVDNUJUCS-RISCZKNCSA-N 348.403 -0.358 10 20 EBCD COc1ccc(N2CCN(C[C@@H](O)CN[C@@H]3CNC(=O)C3)CC2)cc1 1335969672 IUCNDOOZXBFRPQ-HOCLYGCPSA-N 348.447 -0.344 10 20 EBCD Cn1cnnc1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O 1116446619 WSCYFEXTWNGSAL-UHFFFAOYSA-N 339.377 -0.135 10 20 EBCD COc1cccc(CNC(=O)CN(C)S(=O)(=O)N(C)C)c1O 845833823 OGZLRLWZLLQPIZ-UHFFFAOYSA-N 331.394 -0.245 10 20 EBCD CNC[C@H](C)CNC(=O)C(=O)C(=O)C(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2 1329023514 JVWYYBNHZOTDHQ-XDQVBPFNSA-N 349.431 -0.185 10 20 EBCD CCN[C@H](C)CNC(=O)C(=O)C(=O)C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2 1331823095 UOCRYNOEZVKKCN-RFGFWPKPSA-N 349.431 -0.043 10 20 EBCD CN(C)c1ccc([C@H](CNC(=O)CN2CCNCC2=O)N(C)C)cc1 1523581221 PCBIZRBUVPCLKP-INIZCTEOSA-N 347.463 -0.097 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCC(=O)NC2=O)c1 270786832 UJVFFECANZUSFK-VIFPVBQESA-N 341.345 -0.701 10 20 EBCD CN1CCCc2cc(CNC(=O)C(=O)N3C[C@H](O)[C@@H](CO)C3)ccc21 817812027 UGZZPPOPSPPENZ-ZBFHGGJFSA-N 347.415 -0.503 10 20 EBCD O=S1(=O)C[C@@H](N2CCOCC2)[C@@H](NCc2ccccc2O)C1 265216777 FVNSPSSXQUJZOB-UONOGXRCSA-N 326.418 -0.020 10 20 EBCD CNC(=O)NCC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 761146204 AJNFQHIEWFTANA-UHFFFAOYSA-N 349.435 -0.138 10 20 EBCD C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1NC(=O)C(N)=O 966533404 JCRYDEOBUPSSSP-GZMMTYOYSA-N 346.347 -0.089 10 20 EBCD O=C(NCCC1=CCN(c2nccn3nnnc23)CC1)c1nc[nH]n1 1089837621 BJVUBLLFQZFHSC-UHFFFAOYSA-N 340.351 -0.406 10 20 EBCD CN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn(CC(N)=O)c1 1115873533 IABLWXZICWESCZ-UHFFFAOYSA-N 331.332 -0.329 10 20 EBCD COc1cc(C(=O)N[C@@H]2CCN(C(=O)c3cnn[nH]3)C2)cc(OC)n1 941653929 NGZOTKREAJZENJ-SNVBAGLBSA-N 346.347 -0.139 10 20 EBCD COc1ccc(N2CCN(C(=O)[C@@H]3CN(C)C(=O)CN3)CC2)cc1 1340013006 RYXJMDBIZJBHCZ-HNNXBMFYSA-N 332.404 -0.226 10 20 EBCD COc1ccc(CN[C@@]2(CO)CCCN(C(=O)C(N)=O)C2)cc1C 1755087795 ISVZAKXSYCKCIU-KRWDZBQOSA-N 335.404 -0.068 10 20 EBCD COc1ccc(N2CCN(C[C@H](O)CN[C@@H]3CNC(=O)C3)CC2)cc1 1335969671 IUCNDOOZXBFRPQ-GOEBONIOSA-N 348.447 -0.344 10 20 EBCD COc1cc(C(=O)NC2CN(Cc3nc(=O)n(C)[nH]3)C2)cc(OC)n1 1030612582 USKMGMRDDGZKJR-UHFFFAOYSA-N 348.363 -0.865 10 20 EBCD COc1cccc(CN2CCN(C(=O)Cn3cnnn3)CC2)c1O 289892609 SYGUGOBQKKTJMG-UHFFFAOYSA-N 332.364 -0.268 10 20 EBCD COc1cc(C(=O)NC2CN(C(=O)Cc3nc[nH]n3)C2)cc(OC)n1 996380221 ZMUZPGMHHGZPEM-UHFFFAOYSA-N 346.347 -0.600 10 20 EBCD O=C1NC[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCN2C1=O 91866307 QHIJPVQUYANGHO-MRXNPFEDSA-N 344.415 -0.334 10 20 EBCD COC(=O)COCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O 862952791 HMRGOJGAWPYUHA-UHFFFAOYSA-N 346.361 -0.317 10 20 EBCD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCO[C@H](C(N)=O)C1 51102300 AJJACGCMQFUYSP-HNNXBMFYSA-N 334.420 -0.103 10 20 EBCD COc1ccc(N2CCN(C[C@H](O)CN3CCNC(=O)C3)CC2)cc1 779216513 QNNCOOHPYRJBGK-INIZCTEOSA-N 348.447 -0.390 10 20 EBCD CCN1CCC[C@H]1CN/C=C1/C(=O)NC(=S)N(CCOC)C1=O 60863713 DEZNQLVDBIRJTE-NIANNCQZSA-N 340.449 -0.166 10 20 EBCD CN(C)C(=O)Cn1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)nn1 783158421 UCZMRDYHIHJNEJ-UHFFFAOYSA-N 348.315 -0.183 10 20 EBCD CC(C)[C@H](N)CNC(=O)C(=O)C(=O)C(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2 1325745416 YKVIFEYQBUTADS-IGQOVBAYSA-N 349.431 -0.057 10 20 EBCD COc1ccc(N2CCN(C[C@@H](O)CN(C)CC(N)=O)CC2)cc1 754012510 ZGZWKYUPWARBAX-HNNXBMFYSA-N 336.436 -0.405 10 20 EBCD CN1CCN(c2ccc(CNC(=O)NC(C)(CO)CO)cc2)CC1 889664075 ZNRQGDXCPKDOJQ-UHFFFAOYSA-N 336.436 -0.019 10 20 EBCD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Cn3cnnn3)cc2)C1 917832386 WVSKHYRALZMXGM-CYBMUJFWSA-N 343.391 -0.309 10 20 EBCD CCS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 283680175 ZRLMIVQXHKKVAJ-UHFFFAOYSA-N 341.433 -0.080 10 20 EBCD CN(CCN)C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 851692177 SDPCGYIGSXMKOI-UHFFFAOYSA-N 334.420 -0.319 10 20 EBCD COC[C@@H](O)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O 270898199 ZETFOPOOVXNYMX-JTQLQIEISA-N 332.378 -0.109 10 20 EBCD NC[C@H](NC(=O)C(=O)C(=O)C(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2)C1CC1 1327839377 LPFZECDEAJODAL-VTPLQMEGSA-N 347.415 -0.303 10 20 EBCD COCC(=O)NCCC1=CCN(c2cncc(-c3nn[nH]n3)n2)CC1 1605039381 HJZPSXGWFKLXDJ-UHFFFAOYSA-N 344.379 -0.054 10 20 EBCD COc1cc(C(=O)NC2CN(C(=O)Cn3nccn3)C2)cc(OC)n1 996368298 KSBFVYWMTWXNPQ-UHFFFAOYSA-N 346.347 -0.669 10 20 EBCD CO[C@@]1(C(=O)O)CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1599065853 JGURBBRVZWQQHG-INIZCTEOSA-N 334.328 -0.064 10 20 EBCD CN(C)c1ccc2c(c1)OCCN2C(=O)CNS(=O)(=O)N(C)C 611648758 FXGPQNMSVWNICJ-UHFFFAOYSA-N 342.421 -0.126 10 20 EBCD CN(Cc1ccccc1O)c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 825981512 UGVOOTMILXRAIW-UHFFFAOYSA-N 343.347 -0.394 10 20 EBCD CNC[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 884796554 IWDKKSFMYVRVQZ-CQSZACIVSA-N 347.463 -0.221 10 20 EBCD Nc1ccc(CCNC(=O)C(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)cc1 1329453983 DCQVTPCGUKZTGQ-KBPBESRZSA-N 330.388 -0.193 10 20 EBCD NS(=O)(=O)N1CCC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1 830531491 IUSDQIOYPYERFE-LLVKDONJSA-N 343.405 -0.328 10 20 EBCD COc1ccc(N2CCN(C(=O)C(=O)NC3CNC3)CC2)c(OC)c1 884693086 LFNCLIMNEVHGQE-UHFFFAOYSA-N 348.403 -0.560 10 20 EBCD CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CN(CC(N)=O)C[C@@H]1O 1047644683 NUDNKZFSSJYNAO-RYUDHWBXSA-N 348.363 -0.549 10 20 EBCD COc1ccc(CN[C@]2(CO)CCCN(C(=O)C(N)=O)C2)cc1C 1755087796 ISVZAKXSYCKCIU-QGZVFWFLSA-N 335.404 -0.068 10 20 EBCD Nc1nc(C(=O)NCc2ccccc2O)nc(N2CCOCC2)n1 816912426 WYXYQAMRRWLDJD-UHFFFAOYSA-N 330.348 -0.074 10 20 EBCD COc1cc(C(=O)NC2CN([C@H](C)C(=O)N(C)C)C2)cc(OC)n1 1030615183 ZETWGFIIAJNNCH-SNVBAGLBSA-N 336.392 -0.011 10 20 EBCD CCONC(=O)CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 1332843771 RKRUSIVPXTWFAW-UHFFFAOYSA-N 336.392 -0.105 10 20 EBCD O=C(CN1CCNCC1=O)NCc1ccc(N2CCOCC2)cc1 165188343 XVYCQWBDUYCXAL-UHFFFAOYSA-N 332.404 -0.429 10 20 EBCD NC(=O)CC(=O)N1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 1002690620 RLVKAMXKKADGAK-UHFFFAOYSA-N 346.347 -0.087 10 20 EBCD O=C1NC[C@@H](C(=O)NCCC2=CCN(c3nccnc3F)CC2)N1 1089860893 OKUCITKICZDJLS-NSHDSACASA-N 334.355 -0.060 10 20 EBCD CC(=O)N[C@@H](CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)C(N)=O 1328468092 ABVTVRCARDUGSR-KGLIPLIRSA-N 335.408 -0.751 10 20 EBCD COC(=O)[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)OC 293887594 DWJCQXHKXRRNSG-LLVKDONJSA-N 346.361 -0.319 10 20 EBCD C[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1)S(C)(=O)=O 785425256 ZIPXEAIWUXFXMO-NSHDSACASA-N 341.433 -0.082 10 20 EBCD O=C(COC(=O)c1cccc(O)c1O)N[C@@H]1CCS(=O)(=O)C1 1255800816 PTQWGRWZPIAOBH-MRVPVSSYSA-N 329.330 -0.442 10 20 EBCD C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C[C@H](CO)O1 785440363 YYNQSJCLSOWEQB-IUODEOHRSA-N 335.404 -0.023 10 20 EBCD C[C@@H](NC[C@]1(CO)COCCN1C)c1cccc(-c2nn[nH]n2)c1O 1603658368 STOYGHGBFVMRGH-BZNIZROVSA-N 348.407 -0.084 10 20 EBCD COCCCS(=O)(=O)NCC(=O)NCc1cccc(OC)c1O 269509042 CKAPAUHIFAVXQB-UHFFFAOYSA-N 346.405 -0.027 10 20 EBCD CN1CCCc2cc(CNC(=O)C(=O)N3CCO[C@@H](CN)C3)ccc21 842149551 AACJEYSDQONHAZ-HNNXBMFYSA-N 346.431 -0.129 10 20 EBCD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 1589896232 FALDXDIACIXMHO-MRVPVSSYSA-N 344.335 -0.383 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC(=O)NC2CC2)c1 55134905 KYSJSUBJSABWSB-UHFFFAOYSA-N 327.362 -0.228 10 20 EBCD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN1CCS(=O)(=O)CC1 274976591 WTHAUVKHMLEBFF-LLVKDONJSA-N 342.417 -0.125 10 20 EBCD COC[C@@]1(C(=O)O)CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 1593974678 OGWGJSOCUZAKMY-OAHLLOKOSA-N 325.317 -0.031 10 20 EBCD COC[C@](C)(O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O 748365930 WPEKADZUINPQQX-CYBMUJFWSA-N 332.378 -0.109 10 20 EBCD O=C(NCc1ccc(N2CCC(O)CC2)cc1)C(=O)N[C@@H]1CCNC1 1330039545 JTLKEKRTGZNLHP-CQSZACIVSA-N 346.431 -0.258 10 20 EBCD CCOC(=O)c1cnn2c(O)cc(COC(=O)C3(C(N)=O)CC3)nc12 731727240 AHUOFGMNOWEPPC-UHFFFAOYSA-N 348.315 -0.080 10 20 EBCD Cc1ccc(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)c(O)c1O 1609418884 AMFIBZMAVZJJOV-UHFFFAOYSA-N 330.308 -0.392 10 20 EBCD NS(=O)(=O)N1CCC(C(=O)NCCc2ccc(O)c(O)c2)CC1 767784458 ANWDWRBCVSBBKV-UHFFFAOYSA-N 343.405 -0.328 10 20 EBCD CC(C)(C)n1nnc(CNC(=O)C(=O)NCCc2ccc(N)cc2)n1 848613955 QSVSCLKBQNLVHP-UHFFFAOYSA-N 345.407 -0.015 10 20 EBCD NS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(O)c(O)c2)C1 830555584 ZTOGTMWPBPUFMG-SNVBAGLBSA-N 329.378 -0.371 10 20 EBCD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CNS(=O)(=O)N(C)C 831924145 CPLSANACXXFGAT-SECBINFHSA-N 331.394 -0.459 10 20 EBCD COc1cc(C(=O)N[C@@H]2CCN([C@@H]3CCNC3=O)C2)cc(OC)n1 1015102781 KVHGKQKHBRIQRU-VXGBXAGGSA-N 334.376 -0.209 10 20 EBCD C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)NCCF 800598788 YEZPFMHFXNPEMZ-QMMMGPOBSA-N 347.368 -0.032 10 20 EBCD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H]1CNCCO1 842154150 RRDMEMSNONPYFQ-OAHLLOKOSA-N 334.420 -0.218 10 20 EBCD CN(C)C(=O)CNC(=O)C(=O)NCCCSc1nccs1 1325610159 ZAHUJKXVILDDJN-UHFFFAOYSA-N 330.435 -0.054 10 20 EBCD C[C@H](CN)CNC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 884698421 NOKINKORRXQPAK-CQSZACIVSA-N 347.463 -0.234 10 20 EBCD NC1(CNC(=O)C(=O)C(=O)C(=O)NC[C@@H]2C[C@H]3C=C[C@H]2CC3)CCC1 1326474266 UHEIVPMJEXNQEH-AVGNSLFASA-N 347.415 -0.159 10 20 EBCD CN(C)c1ccc([C@H](N)CNC(=O)Cn2ccc(=O)n(C)c2=O)cc1 832299513 BWTNCWQMKGGRNQ-CQSZACIVSA-N 345.403 -0.571 10 20 EBCD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]1CNCCO1 842277609 LUXIHJCGAITBMX-OAHLLOKOSA-N 334.420 -0.184 10 20 EBCD CCN(CCN)C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 885209930 FXBJRFWJJURAQD-UHFFFAOYSA-N 347.463 -0.138 10 20 EBCD NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)C(N)=O)C2)cc1 974245513 UFUJMPCOAMYRAE-AOOOYVTPSA-N 332.320 -0.289 10 20 EBCD C[C@H](C(N)=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1084104481 VKXXBMZQUIVEPZ-FXAINCCUSA-N 348.363 -0.502 10 20 EBCD COc1cc(C(=O)N[C@H](CO)CNC(=O)c2ncc[nH]2)cc(OC)n1 1756517724 NBGWGSLHNKPHEM-JTQLQIEISA-N 349.347 -0.657 10 20 EBCD Cn1cnc(S(=O)(=O)NCC(=O)NCc2ccc(O)c(O)c2)c1 768914406 PUYAIHOURQZHBB-UHFFFAOYSA-N 340.361 -0.574 10 20 EBCD CNCCN(C)C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 885210659 XCJJMBWTGFFCGN-UHFFFAOYSA-N 347.463 -0.268 10 20 EBCD NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)C2)cc1 941147769 OMIMJMFFHLFTRF-SNVBAGLBSA-N 332.320 -0.335 10 20 EBCD C[C@H](CN)N(C)C(=O)C(=O)C(=O)C(=O)N1CC[C@H](c2cccnc2)C1 1328400726 KUWJLIWPQQPGPJ-YPMHNXCESA-N 346.387 -0.659 10 20 EBCD NC(=O)c1cnn2c(C(=O)NC3=S=C(C(=O)O)C=C3)ccnc12 1610639808 CMSMBSRSLYFZLC-UHFFFAOYSA-N 331.313 -0.752 10 20 EBCD NS(=O)(=O)C1(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 816897419 FOUKPEVQBHICJP-UHFFFAOYSA-N 339.417 -0.040 10 20 EBCD COc1cccc(CNC(=O)NCCOCCS(N)(=O)=O)c1O 854137059 PVAAWFIFBSGZNS-UHFFFAOYSA-N 347.393 -0.495 10 20 EBCD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)N[C@@H]1CCNC1 861814524 NXBWVUWKCATWKG-OAHLLOKOSA-N 346.431 -0.040 10 20 EBCD C[C@H](N)CN(C)C(=O)C(=O)C(=O)C(=O)N1CC[C@H](c2cccnc2)C1 1331781469 YMUKYQNBTUNTGS-AAEUAGOBSA-N 346.387 -0.659 10 20 EBCD CN1CCN(c2ccc(CNC(=O)N[C@@H]3COC[C@@H]3O)cc2)CC1 889658644 INCRPDWFECCYRS-CVEARBPZSA-N 334.420 -0.003 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 919809804 KRSPZQVBSKAPDX-SECBINFHSA-N 348.402 -0.319 10 20 EBCD COC[C@H](O)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O 270899258 ZETFOPOOVXNYMX-SNVBAGLBSA-N 332.378 -0.109 10 20 EBCD COc1cc(C(=O)NC2CN([C@@H](C)c3nnnn3C)C2)cc(OC)n1 1030612575 UQENLVXTZNURSK-VIFPVBQESA-N 347.379 -0.203 10 20 EBCD NC(=O)[C@H]1CCCN(c2ccc(CN3C(=O)N[C@@H](CO)C3=O)cc2)C1 1119626799 GAOAWRAWZBNOHT-JSGCOSHPSA-N 346.387 -0.199 10 20 EBCD O=C(CN1CCS(=O)(=O)CC1)NCCc1ccc(O)c(O)c1 768899719 OAZWPNAQDNINED-UHFFFAOYSA-N 328.390 -0.513 10 20 EBCD NC(=O)C(=O)NCCC1=CCN(c2ccncc2-c2nn[nH]n2)CC1 1592712955 LMTOISCNKDWPOG-UHFFFAOYSA-N 342.363 -0.610 10 20 EBCD CN1CCN(c2ccc(CNC(=O)CN3CCNC(=O)C3)cc2)CC1 918912106 CHLSVMRXXQHCFZ-UHFFFAOYSA-N 345.447 -0.514 10 20 EBCD O=C(Cn1cnnn1)NCCC1=CCN(c2cc(F)ncn2)CC1 1089800334 JXQOFESADHONGW-UHFFFAOYSA-N 332.343 -0.055 10 20 EBCD CN(C)c1ccc([C@H](N)CNS(=O)(=O)N(C)CCC(=O)O)cc1 1610104930 GOICMEKLDVIIIQ-CYBMUJFWSA-N 344.437 -0.007 10 20 EBCD C[C@H](CN)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249744 SMOTZSZKPIZIII-SNVBAGLBSA-N 334.376 -0.095 10 20 EBCD NC(=O)[C@@H]1CCCN(c2ccc(CN3C(=O)N[C@H](CO)C3=O)cc2)C1 1119626801 GAOAWRAWZBNOHT-TZMCWYRMSA-N 346.387 -0.199 10 20 EBCD CCOc1ccc(N2CCN(C(=O)[C@@H](CO)NC(N)=O)CC2)cc1 1324486588 PYBBNNPWYISUKI-CQSZACIVSA-N 336.392 -0.237 10 20 EBCD COc1ccc(N2CCN(C(=O)C(=O)NC[C@H](C)N)CC2)cc1F 1326182818 MDOPFAOZAIGFKK-NSHDSACASA-N 338.383 -0.054 10 20 EBCD CC(=O)C(=O)COC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 808548406 XUUAYIIEJBEIMW-UHFFFAOYSA-N 344.301 -0.426 10 20 EBCD NCCNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 851661856 PYLHUBDJTDYFCS-UHFFFAOYSA-N 326.422 -0.321 10 20 EBCD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NCCc1ccc(O)c(O)c1 762261374 KIKAQOGWENMFJA-UHFFFAOYSA-N 329.316 -0.159 10 20 EBCD CNC(=O)CC(=O)NCCC1=CCN(c2ccc3nnnn3n2)CC1 1089823325 CYPJSDWDYUGIOF-UHFFFAOYSA-N 344.379 -0.702 10 20 EBCD COCCS(=O)(=O)CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1 843298510 NVEXXRBSKHWQIN-AWEZNQCLSA-N 343.449 -0.070 10 20 EBCD CS(=O)(=O)N1CCN(S(=O)(=O)NCc2ccccc2O)CC1 751149289 QAABAVQMWZFKQV-UHFFFAOYSA-N 349.434 -0.696 10 20 EBCD CCOC(=O)c1cnn2c(O)cc(CN3CCNC(=O)[C@H]3C)nc12 263932616 YWGMUAWXYGJMCA-SECBINFHSA-N 333.348 -0.068 10 20 EBCD NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)C(N)=O)C2)cc1 973391070 UFUJMPCOAMYRAE-MGCOHNPYSA-N 332.320 -0.289 10 20 EBCD CCNC(=O)NCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O 294129031 SQAWUKWVPWJYHA-UHFFFAOYSA-N 344.393 -0.187 10 20 EBCD COc1cc(C(=O)N[C@H]2C[C@@H](NCc3nnn(C)n3)C2)cc(OC)n1 1022367402 DVDCILIIZGZKAQ-PHIMTYICSA-N 347.379 -0.327 10 20 EBCD COc1ccc(N2CCN(C[C@@H](O)CNC[C@@H](O)CO)CC2)cc1 843064235 XHZKJNFMCVVQRC-JKSUJKDBSA-N 339.436 -0.879 10 20 EBCD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1ccc(=O)n(C)c1=O 273193356 QECOWHKFPBCAGM-SNVBAGLBSA-N 333.344 -0.294 10 20 EBCD COc1ccc(N2CCN(CCNC(=O)NCCC(N)=O)CC2)cc1 299349483 PXKYUWKWMJOSLC-UHFFFAOYSA-N 349.435 -0.008 10 20 EBCD O=C(NCCS(=O)(=O)N1CCOCC1)NCc1ccccc1O 726251012 ONITYLJNBRBHRG-UHFFFAOYSA-N 343.405 -0.147 10 20 EBCD CS(=O)(=O)N1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 768440674 BCHGFHHEPUNBHR-ZDUSSCGKSA-N 328.390 -0.105 10 20 EBCD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1nc[nH]n1 773286789 TXTDWMFRIZMSAO-UHFFFAOYSA-N 335.389 -0.031 10 20 EBCD COCC1(O)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 857523015 VITCRNWVBKAOEU-UHFFFAOYSA-N 330.362 -0.403 10 20 EBCD CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CC(=O)N3)cc2)CC1 832794886 SETGUXTZUJDYNH-OAHLLOKOSA-N 330.388 -0.140 10 20 EBCD COc1cc(C(=O)N[C@H]2C[C@@H](N[C@H]3CCNC3=O)C2)cc(OC)n1 1022367398 DRLZAJUZFCTTIX-TUAOUCFPSA-N 334.376 -0.162 10 20 EBCD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCN1CCNC1=O 898704597 XHLSMXKQPDGORH-UHFFFAOYSA-N 347.419 -0.148 10 20 EBCD COc1cc(C(=O)N[C@H]2C[C@@H](NCc3nnnn3C)C2)cc(OC)n1 1022368688 XGTBQTMLQFFJRG-PHIMTYICSA-N 347.379 -0.327 10 20 EBCD NC(=O)C(=O)NCCC1=CCN(c2ccnc(O)c2[N+](=O)[O-])CC1 1089862100 NDAFETDWLUUDPU-UHFFFAOYSA-N 335.320 -0.177 10 20 EBCD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H](O)COC)nc12 766146476 FIFLEDKLEFTTJA-SNVBAGLBSA-N 339.304 -0.338 10 20 EBCD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CNC(=O)CN 843489229 JEZXILFUBNXOFR-UHFFFAOYSA-N 343.767 -0.378 10 20 EBCD CN(C)c1ccc([C@H](N)CNC(=O)c2cn(C)c(=O)n(C)c2=O)cc1 832274773 YACQFNXLLFEMTF-CQSZACIVSA-N 345.403 -0.420 10 20 EBCD CCOc1ccc(N2CCN(C(=O)[C@H](CO)NC(N)=O)CC2)cc1 1324486586 PYBBNNPWYISUKI-AWEZNQCLSA-N 336.392 -0.237 10 20 EBCD C[C@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)C(=O)O 1593566372 YFEOKCVXZJNJBU-LURJTMIESA-N 331.302 -0.037 10 20 EBCD C[C@@H](CCN)NC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 884703876 NQNUYBQBYLJXAA-AWEZNQCLSA-N 347.463 -0.092 10 20 EBCD CN1CCN(c2ccc(CNC(=O)Cn3ncn(C)c3=O)cc2)CC1 881852505 SUOXQLMNCYZSFG-UHFFFAOYSA-N 344.419 -0.350 10 20 EBCD CN1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)[C@@H](CN)C1 842037089 VGMFJLIPLQDDKF-HNNXBMFYSA-N 333.436 -0.530 10 20 EBCD O=C(O)[C@H]1CS(=O)(=O)CCN1Cc1cc2c(cc1O)OCO2 1606057995 XXDNEHZULHDPTM-SECBINFHSA-N 329.330 -0.196 10 20 EBCD CN(C)c1ccc([C@@H](CNC(=O)CN2CCNC(=O)C2)N(C)C)cc1 891247750 UZJOCJCQJRYXIN-MRXNPFEDSA-N 347.463 -0.097 10 20 EBCD C[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1078253844 VKXXBMZQUIVEPZ-GGZOMVNGSA-N 348.363 -0.502 10 20 EBCD CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@@H](O)[C@H](CO)C2)cc1 817705318 DFGCLXWNBQVJNF-GOEBONIOSA-N 349.431 -0.039 10 20 EBCD CN1C(=O)C(=O)N(CC(=O)NC[C@H](N)c2ccc(N(C)C)cc2)C1=O 843298989 RVYXQBWJDGKZKC-LBPRGKRZSA-N 347.375 -0.711 10 20 EBCD CN1CCN(c2ccc(CNC(=O)[C@@H]3CNCCN3C)cc2)CC1 1122208759 ZQOHUMOGFOWOOF-KRWDZBQOSA-N 331.464 -0.042 10 20 EBCD COc1ccc(N2CCN(C(=O)C(=O)N[C@H](C)CN)CC2)cc1F 1261383527 OLXKUSFNYQLHRS-LLVKDONJSA-N 338.383 -0.054 10 20 EBCD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)C(O)O 1796601143 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PUZHUATXYFXIGK-GDBMZVCRSA-N 338.404 -0.014 10 20 EBCD COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)NCc1ccc(N(C)C)cc1 298427046 GEIGDNKPPOASQS-HUUCEWRRSA-N 335.404 -0.023 10 20 EBCD COC[C@@](C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)O 833721525 PCKFNBVDVSTGPM-CYBMUJFWSA-N 346.361 -0.017 10 20 EBCD COc1ccc(CNCCNC(=O)Cn2ncn(C)c2=O)cc1C 1130588680 ZHYXFRCKEKVRHW-UHFFFAOYSA-N 333.392 -0.195 10 20 EBCD COc1cccc(CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)O)c1O 1599674801 UERRYSXWXQOVEE-QWRGUYRKSA-N 349.343 -0.020 10 20 EBCD NCC(=O)NCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 844173953 GFERSXHQMRGOIS-UHFFFAOYSA-N 334.420 -0.414 10 20 EBCD CCN(CCN)C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 861761473 IIWUOFXUMOAMIG-UHFFFAOYSA-N 334.420 -0.053 10 20 EBCD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CC(O)(C(=O)O)C1 1601538824 JHYHMSAPUROKQN-UHFFFAOYSA-N 347.371 -0.439 10 20 EBCD CNC[C@H](C)NC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 884796553 IWDKKSFMYVRVQZ-AWEZNQCLSA-N 347.463 -0.221 10 20 EBCD COC(=O)c1nccc(N2CC=C(CCNC(=O)CC(N)=O)CC2)n1 1089821936 DZDXWUXHBLRPLC-UHFFFAOYSA-N 347.375 -0.219 10 20 EBCD CCNCCCNC(=O)C(=O)C(=O)C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2 1327838885 IMRNXZZLAKYGLL-IHRRRGAJSA-N 349.431 -0.041 10 20 EBCD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 1589896234 FALDXDIACIXMHO-QMMMGPOBSA-N 344.335 -0.383 10 20 EBCD COCCN1C(=O)/C(=C\NCCCN2CCCC2)C(=O)NC1=S 52536864 BYFIFGQGILCQJZ-QXMHVHEDSA-N 340.449 -0.165 10 20 EBCD CN(C)c1ccc(CNC(=O)Cn2cc(S(N)(=O)=O)cn2)cc1 120992744 YFXPZTPACGZURY-UHFFFAOYSA-N 337.405 -0.087 10 20 EBCD CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@H](O)[C@@H](CO)C2)cc1 817705320 DFGCLXWNBQVJNF-ZBFHGGJFSA-N 349.431 -0.039 10 20 EBCD COc1ccc(N2CCN(C[C@H](O)CNC(CO)CO)CC2)cc1 843060364 VKSLHMQWTBRLOB-MRXNPFEDSA-N 339.436 -0.879 10 20 EBCD COc1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3cnn[nH]3)C2)cc(OC)n1 973436303 QAIWIYZGNHYFTN-MGCOHNPYSA-N 346.347 -0.092 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@]2(O)CCOC2)c1 270087212 HRMBZQYJPSPIRE-ZDUSSCGKSA-N 330.362 -0.355 10 20 EBCD CCN(CCO)C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 284170791 ULMAOGFLHYEXDX-UHFFFAOYSA-N 335.404 -0.020 10 20 EBCD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1CNCCO1 842154142 RRDMEMSNONPYFQ-HNNXBMFYSA-N 334.420 -0.218 10 20 EBCD CC(=O)NCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1347856856 LHXWTYRVDUXUPY-UHFFFAOYSA-N 339.417 -0.326 10 20 EBCD COc1ccc(N2CCCN(C(=O)[C@H](CO)NC(N)=O)CC2)cc1 371370199 TZRCTYSISUPZCF-AWEZNQCLSA-N 336.392 -0.237 10 20 EBCD CCOC(=O)c1cnn2c(O)cc(CN(C)[C@H]3CCNC3=O)nc12 759424982 SZWBRIKMXUJTHN-NSHDSACASA-N 333.348 -0.068 10 20 EBCD COC(=O)CN(CC(=O)OC)Cc1cc2c(cc1O)OC[C@@H]2O 768453446 XLBXUZPBXFLQOY-LBPRGKRZSA-N 325.317 -0.034 10 20 EBCD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 807103232 MAKSDHUWJWEYMS-CQSZACIVSA-N 348.403 -0.610 10 20 EBCD CCNS(=O)(=O)CCNC(=O)C(=O)N(C)Cc1ccccc1O 1322579024 POIPWXUEHQYCRS-UHFFFAOYSA-N 343.405 -0.594 10 20 EBCD NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)cc1 958732738 QBKSYGPKZGZSMB-YPMHNXCESA-N 335.364 -0.136 10 20 EBCD COc1cc(C(=O)NC2CN(Cc3nc(O)n[nH]3)C2)cc(OC)n1 1030612607 VSMOBDPTCOENNT-UHFFFAOYSA-N 334.336 -0.463 10 20 EBCD C[C@H](N)CN(C)C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 885210305 PVSOMEFMVIMWFK-AWEZNQCLSA-N 347.463 -0.140 10 20 EBCD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC(=O)N1 1320693270 XMXLCJFSAJHFKV-MNOVXSKESA-N 336.344 -0.033 10 20 EBCD CN(C)c1ccc([C@@H](N)CNC(=O)c2nc(O)nc(O)c2N)cc1 843296810 GOEGZRZJMBOODJ-JTQLQIEISA-N 332.364 -0.034 10 20 EBCD NC(=O)CN1C[C@@H]2C(NC(=O)c3ccc(N=NC(N)=O)cc3)[C@H]2C1 962969234 DMGOSMQKSSBQAQ-QWRGUYRKSA-N 330.348 -0.006 10 20 EBCD COc1ccc(-n2nnnc2CNCCNC(=O)c2cn[nH]c2)cc1 1124055618 ILYRLPMKGIIVAX-UHFFFAOYSA-N 342.363 -0.086 10 20 EBCD O=C(NCc1ccc(N2CCC(O)CC2)cc1)C(=O)N[C@H]1CCNC1 1347073441 JTLKEKRTGZNLHP-AWEZNQCLSA-N 346.431 -0.258 10 20 EBCD C[C@@H](O)[C@H](N)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1579419589 BAWVRAZGEBLHNE-KYOSRNDESA-N 334.420 -0.287 10 20 EBCD NC(=O)CN1CCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])CC1=O 1608234916 PSMFPEDMNNOSNQ-DUXPYHPUSA-N 348.315 -0.174 10 20 EBCD CN(C)CC(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249749 SWCWYXJBUJXWPI-UHFFFAOYSA-N 334.376 -0.129 10 20 EBCD C[C@H](CN)CNC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 851687403 ADCOQYYHMLCZBL-CYBMUJFWSA-N 348.447 -0.025 10 20 EBCD CN(C)c1ccc([C@H](CNC(=O)C(=O)N[C@H]2CCNC2)N(C)C)cc1 911272694 FAJQBJGBVOTFFJ-HOCLYGCPSA-N 347.463 -0.050 10 20 EBCD CN1CC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1=O 265666609 CMELGLRORKSXDI-JTQLQIEISA-N 327.362 -0.276 10 20 EBCD C[C@@H](N)CNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 911280768 LJDNBOVANQPDPS-DOMZBBRYSA-N 335.452 -0.065 10 20 EBCD O=C(NC[C@H]1CCCN1)C(=O)C(=O)C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2 1118118611 IVBQGINMQPOKDM-XDQVBPFNSA-N 347.415 -0.289 10 20 EBCD CN(Cc1ccccc1O)C(=O)C(=O)NCC(=O)N1CCOCC1 1322645906 MLTVASHCVBKASA-UHFFFAOYSA-N 335.360 -0.674 10 20 EBCD NC(=O)C1CCN(c2ccc(CNC(=O)[C@H]3CNCCO3)cc2)CC1 1333770721 XVNNKKYUYRTZPC-MRXNPFEDSA-N 346.431 -0.007 10 20 EBCD C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N(C)Cc1ccccc1O 1342185273 UZFYDRPDCDHZDK-JTQLQIEISA-N 328.390 -0.100 10 20 EBCD CNC(=O)[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CCO1 184065303 PPXJCKOJFNXBJJ-HNNXBMFYSA-N 334.420 -0.184 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2COCCO2)c1 919816655 BLLKYWQMNYCWHM-SNVBAGLBSA-N 330.362 -0.091 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCn2cnnn2)c1 816287954 WROGGYAXRYKQDK-UHFFFAOYSA-N 326.338 -0.820 10 20 EBCD COc1ccc(N2CCN(C(=O)CN3CCNC(=O)C3)CC2)cc1 23816660 ADWUKZHJVATYHA-UHFFFAOYSA-N 332.404 -0.224 10 20 EBCD C[C@H](NC(=O)c1cccc(O)c1O)C(=O)N1CCS(=O)(=O)CC1 274929931 ANDDJKBKODWKCL-VIFPVBQESA-N 342.373 -0.527 10 20 EBCD COc1cc(C(=O)NC2CN(C(=O)c3[nH]nnc3C)C2)cc(OC)n1 996367332 BCBCBVGPIXBDDX-UHFFFAOYSA-N 346.347 -0.220 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2CNCCCO2)c1 1579348223 YIQQPTBEDZNUQV-NSHDSACASA-N 343.405 -0.128 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCO[C@H](C(=O)O)C2)c1 738137917 AFRSZGIKMCDSMD-NSHDSACASA-N 344.345 -0.311 10 20 EBCD CS(=O)(=O)N1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 768440623 BCHGFHHEPUNBHR-CYBMUJFWSA-N 328.390 -0.105 10 20 EBCD Cc1ccc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)c(O)c1O 1338369513 YBPPRXJZKNQAQY-VIFPVBQESA-N 343.357 -0.134 10 20 EBCD O=C(NCCS(=O)(=O)N1CCOCC1)c1c(F)ccc(O)c1O 825652918 OSPKSNGFTCLWEY-UHFFFAOYSA-N 348.352 -0.371 10 20 EBCD CC(=O)NCC(=O)NCC(=O)N1CCOc2cc(N(C)C)ccc21 266364807 SSNSYYJWMOUHQS-UHFFFAOYSA-N 334.376 -0.270 10 20 EBCD CN1CCCc2cc(CNC(=O)C(=O)NCc3nnn(C)n3)ccc21 1323678075 HKMZTQIQTXIDJH-UHFFFAOYSA-N 343.391 -0.475 10 20 EBCD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccc(N)cc1 1350323333 RELMZCTZVQRUFW-MNOVXSKESA-N 327.362 -0.865 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@]2(CO)CCOC2)c1 273603112 SJFJRAVQOPQFHV-ZDUSSCGKSA-N 330.362 -0.355 10 20 EBCD COC[C@H]1C[C@@H](O)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 846452127 PZNLUCSXJWDERK-GHMZBOCLSA-N 344.389 -0.015 10 20 EBCD CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H](O)CN)cc2)CC1 1341929632 XZYCAWDALUPEHN-INIZCTEOSA-N 334.420 -0.319 10 20 EBCD NC(=O)c1ncn(CC(=O)NCc2ccc(N3CCOCC3)cc2)n1 845268715 GWRNDOHCVOSBMJ-UHFFFAOYSA-N 344.375 -0.470 10 20 EBCD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Cc1ccc(N)cc1 1118200232 FBBKBNZNEVJSRS-ZDUSSCGKSA-N 339.417 -0.427 10 20 EBCD Cc1ccc(O)c(CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 1328853807 YCEJHCRYZOLWGL-UHFFFAOYSA-N 339.373 -0.423 10 20 EBCD COc1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c(O)c1 1591594506 XAZRVDHNICPMHU-UHFFFAOYSA-N 330.308 -0.511 10 20 EBCD COC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)OC 778500159 AWKMOLVNVDRJMJ-JTQLQIEISA-N 346.361 -0.319 10 20 EBCD COc1cc(C(=O)NC2CN(C(=O)C3=COCCO3)C2)cc(OC)n1 996367469 CUZYCQOEXPNKIA-UHFFFAOYSA-N 349.343 -0.072 10 20 EBCD Nc1ccc(CC(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)cc1 314716213 LFPCWNXEJVWZSM-LBPRGKRZSA-N 326.422 -0.157 10 20 EBCD CS(=O)(=O)NCCN1C(=O)CN(Cc2ccccc2O)C1=O 819165829 DNYFOYAYJGVGCK-UHFFFAOYSA-N 327.362 -0.294 10 20 EBCD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CC(=O)N3)cc2)C1 822937703 LDECSWGLCQZBFA-GXTWGEPZSA-N 330.388 -0.107 10 20 EBCD CC(=O)N1CCN(c2ccc(CNC(=O)CNC(=O)CN)cc2)CC1 1349402964 GOAMMWDDWPYLIQ-UHFFFAOYSA-N 347.419 -0.954 10 20 EBCD C[C@H](CN)NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 911298738 VVPNNYLYQSABIP-IUODEOHRSA-N 335.452 -0.065 10 20 EBCD CCC(=O)N(C)C[C@H](O)CNCc1nnnn1-c1ccc(OC)cc1 1755769499 FEVNFXYOYUYFGV-CYBMUJFWSA-N 348.407 -0.010 10 20 EBCD CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccnn2C)ccc1O 790403912 BIVFKJDQTYKRJT-UHFFFAOYSA-N 346.390 -0.165 10 20 EBCD CN(Cc1ccccc1O)C(=O)NCCOCCS(N)(=O)=O 854135152 VCBQFTLGHTUGKK-UHFFFAOYSA-N 331.394 -0.161 10 20 EBCD CONC(=O)CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1 924006083 ILJVIRJBSCOSHG-UHFFFAOYSA-N 335.408 -0.085 10 20 EBCD CN1CCCc2cc(CNC(=O)C(=O)N3C[C@@H](O)[C@H](CO)C3)ccc21 817812023 UGZZPPOPSPPENZ-GOEBONIOSA-N 347.415 -0.503 10 20 EBCD COc1ccc(-n2nnnc2CN2C[C@@H](O)[C@H](CNC(C)=O)C2)cc1 957787682 HVYKKBZIJIEESY-IUODEOHRSA-N 346.391 -0.400 10 20 EBCD COc1cc(C(=O)NC2CN(Cc3ncnn3C)C2)cc(OC)n1 1030612203 HVEDFZCVBRSPAG-UHFFFAOYSA-N 332.364 -0.159 10 20 EBCD CN(C)c1ccc([C@H](N)CNC(=O)Cn2cc(C(=O)O)nn2)cc1 1598314351 OZXMZQPJUTUEBU-GFCCVEGCSA-N 332.364 -0.142 10 20 EBCD O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCC(=O)NCCO 268653696 PEFGYMBFIUYDRJ-ZZXKWVIFSA-N 333.388 -0.239 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC2(CO)COC2)c1 763668473 CJLNLZLGESBWEK-UHFFFAOYSA-N 331.346 -0.071 10 20 EBCD N[C@H](CNC(=O)C(=O)C(=O)C(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2)C1CC1 1261423003 LQRBDNQOBIEYGT-CDGCEXEKSA-N 347.415 -0.303 10 20 EBCD COc1ccc(N2CCN(C[C@@H](O)CNCCC(N)=O)CC2)cc1 1120480592 YMKYRYIXVSKRJE-HNNXBMFYSA-N 336.436 -0.357 10 20 EBCD C[C@H](O)CN1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)CC1 1344702756 OIWPWKPHDGEFLP-ZDUSSCGKSA-N 335.404 -0.124 10 20 EBCD COCCN1C(=O)/C(=C\NNc2ccc(F)cn2)C(=O)NC1=S 731371839 OXIWNFQABRXOLD-CLFYSBASSA-N 339.352 -0.089 10 20 EBCD CC(=O)NCC(=O)NCC(=O)NCCCSc1nccs1 733893293 IZQKAKBQWWYJOL-UHFFFAOYSA-N 330.435 -0.006 10 20 EBCD CN(C)C(=O)N1CCN(C(=O)C(=O)NCCc2ccc(N)cc2)CC1 1328411976 MUBLFEZFBQTVCV-UHFFFAOYSA-N 347.419 -0.247 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2COCCN2)cc1F 861750531 SDCHQZBFWAXYDL-GFCCVEGCSA-N 338.383 -0.388 10 20 EBCD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC[C@@H]1COCCN1 861753664 ATBWAWVLNGVJEL-OAHLLOKOSA-N 344.415 -0.216 10 20 EBCD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Cc1ccc(N)cc1 1118200231 FBBKBNZNEVJSRS-CYBMUJFWSA-N 339.417 -0.427 10 20 EBCD COc1ccc(CNCCNC(=O)CN2CC(=O)NC2=O)cc1C 1135443635 BNRJPFANMZUFSZ-UHFFFAOYSA-N 334.376 -0.239 10 20 EBCD CN1CCN(c2ccc(CNC(=O)C(=O)N3CCNCC3)cc2)CC1 885210150 KLYRKXARQBTVCS-UHFFFAOYSA-N 345.447 -0.514 10 20 EBCD CC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796137690 SDUFXCRWQNEIJP-GNXNZQSNSA-N 349.343 -0.715 10 20 EBCD CN1CCN(c2ccc(CNC(=O)C(=O)N(C)CCCO)cc2)CC1 898323348 DRVNZLXWSXRKGL-UHFFFAOYSA-N 348.447 -0.105 10 20 EBCD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC[C@H]1COCCN1 861753662 ATBWAWVLNGVJEL-HNNXBMFYSA-N 344.415 -0.216 10 20 EBCD C[C@H](O)CN(C(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@@H](C)CO 283426451 JBYANQHTXSUGJL-STQMWFEESA-N 337.420 -0.041 10 20 EBCD COc1ccc(N2CCC(NC(=O)[C@H](CO)NC(N)=O)CC2)cc1 765484718 AMJIICSNJVSSIG-AWEZNQCLSA-N 336.392 -0.191 10 20 EBCD CN1CCN(c2ccc(CNC(=O)CN3CCNCC3=O)cc2)CC1 1330983259 PRAGODDNYRWPFY-UHFFFAOYSA-N 345.447 -0.514 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)NCc2cc(C(N)=O)no2)cc1 785422070 HDUAWPNEPOSIBB-UHFFFAOYSA-N 345.359 -0.228 10 20 EBCD C[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1078253845 VKXXBMZQUIVEPZ-XXILOJSOSA-N 348.363 -0.502 10 20 EBCD CN(C)c1ccc(CNC(=O)CN2CCN(C(=O)CO)CC2)cc1 152722066 WKNVXUFKUNAKRO-UHFFFAOYSA-N 334.420 -0.495 10 20 EBCD COCCNC(=O)CN1CCN(C(=O)c2cc(O)cs2)CC1 854316467 CWHSTLAZPWYPDX-UHFFFAOYSA-N 327.406 -0.026 10 20 EBCD CO[C@@H](CN)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1579111065 HNYOWIWBQQDGLJ-HNNXBMFYSA-N 334.420 -0.022 10 20 EBCD CC(=O)NCC(=O)N1CCCN(C(=O)c2cccc(O)c2O)CC1 529917424 ZVAHIBZLNUFEAM-UHFFFAOYSA-N 335.360 -0.092 10 20 EBCD CN(C)CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1ccc(N)cc1 850845203 CVWOSWUSRFWDOM-UHFFFAOYSA-N 335.408 -0.314 10 20 EBCD Cn1cnc2c(N3CC=C(CCNC(=O)C(N)=O)CC3)ncnc21 1089861742 DPLGNILMKSJCKK-UHFFFAOYSA-N 329.364 -0.509 10 20 EBCD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(C)c(=O)n(C)c1=O 773741809 YRURXDKKHCJWQO-SECBINFHSA-N 333.344 -0.144 10 20 EBCD CN(Cc1ccccc1O)C(=O)C(=O)N1CCN2CCOC[C@H]2C1 1117843338 BWJAAWIZEFRRNW-CQSZACIVSA-N 333.388 -0.106 10 20 EBCD O=C1CN(c2nnnn2Cc2ccc(N3CCOCC3)cc2)CCN1 1334526381 YMXKWBLAHBISQA-UHFFFAOYSA-N 343.391 -0.506 10 20 EBCD C[C@@H](N)CNC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1261633688 MUAKXVHZEWBDNQ-GFCCVEGCSA-N 334.420 -0.273 10 20 EBCD CC(=O)C(=O)Cn1c(=O)c(I)cn(C)c1=O 289643419 NGVBIVACUNICSM-UHFFFAOYSA-N 336.085 -0.690 10 20 EBCD C[C@@H]1CO[C@@H](CO)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 770022258 BUKNIGOMGFKMMQ-MWLCHTKSSA-N 344.389 -0.015 10 20 EBCD CN1CCN(C)[C@@H](CNC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 785439387 NYLCZHLSAJFERW-INIZCTEOSA-N 347.463 -0.269 10 20 EBCD CS(=O)(=O)NCc1ccc(C(=O)NC2=S=C(C(=O)O)C=C2)o1 832699391 IRKYTSDBELXZHO-UHFFFAOYSA-N 344.370 -0.252 10 20 EBCD C[C@H](N)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CCO1 842035800 IZHMEUJBYLYGTB-WFASDCNBSA-N 334.420 -0.057 10 20 EBCD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NCCc1ccc(N)cc1 851663283 XVAWMJWNUJKXJF-OLZOCXBDSA-N 327.406 -0.078 10 20 EBCD COc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)cc1 854198558 LOQBTRRVRUVDKJ-ZDUSSCGKSA-N 332.360 -0.058 10 20 EBCD CNS(=O)(=O)N1CCC(C(=O)NCc2ccc(O)c(O)c2)CC1 1321905075 PXLOLFGTOCNPPC-UHFFFAOYSA-N 343.405 -0.110 10 20 EBCD CN(C)c1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1F 821589301 HNGOQJVSTZXIJH-UHFFFAOYSA-N 345.342 -0.020 10 20 EBCD N[C@H]1CCN(C(=O)C(=O)C(=O)C(=O)N2CC[C@H](c3cccnc3)C2)C1 1327002739 MAQCNLBHPNPPAO-STQMWFEESA-N 344.371 -0.905 10 20 EBCD CC(=O)C(=O)Cn1cc(-c2nn[nH]n2)c(I)n1 1588781727 JXQXZWFRKNWTKI-UHFFFAOYSA-N 346.088 -0.174 10 20 EBCD CO[C@@H]1COC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O 838354486 XIXTYVQRYNOTOH-CMPLNLGQSA-N 330.362 -0.093 10 20 EBCD CC(=O)C(=O)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O 1609061723 SWCQSIAUSASMHL-HNNXBMFYSA-N 342.315 -0.208 10 20 EBCD CN(C)C(=O)CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 153971357 CSTLIJDNGKJOBP-UHFFFAOYSA-N 330.388 -0.117 10 20 EBCD CN1CCN(c2ccc(CNC(=O)N3C[C@H](O)[C@@H](CO)C3)cc2)CC1 889663294 OADGSOUJKWPCBQ-WBVHZDCISA-N 348.447 -0.067 10 20 EBCD C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 966773286 JGTDRUIHVMXIOM-KWQFWETISA-N 346.347 -0.089 10 20 EBCD O=C(O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc(O)c1O 388517914 IOOJLUPBTMZQRE-MRVPVSSYSA-N 329.330 -0.188 10 20 EBCD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NCc1ccc(O)c(O)c1 272346985 PXEYZZXRXJRIBS-QHSBEEBCSA-N 346.339 -0.124 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H]2CNCCCO2)c1 1579348222 YIQQPTBEDZNUQV-LLVKDONJSA-N 343.405 -0.128 10 20 EBCD COc1cc(C(=O)N[C@H]2CCN(Cc3nc(O)n[nH]3)C2)cc(OC)n1 1015100588 CCFUGDZTHPDIDO-JTQLQIEISA-N 348.363 -0.073 10 20 EBCD COc1cc(C(=O)NC2CN([C@H]3CCC(=O)NC3=O)C2)cc(OC)n1 1030612255 JCPHEOAWKBKCTI-NSHDSACASA-N 348.359 -0.682 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)NCc2nnn(C)n2)cc1F 1321934624 GDGKSDHRHMAFAB-UHFFFAOYSA-N 335.343 -0.652 10 20 EBCD COc1cc(C(=O)NC2CN(C(=O)[C@H]3CCNC3=O)C2)cc(OC)n1 996368790 NAWJCYZZCJESKF-NSHDSACASA-N 348.359 -0.825 10 20 EBCD CN1C[C@H](NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CC1=O 1117164404 MFQJKTWWDJKXPN-LLVKDONJSA-N 336.367 -0.145 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC[C@@](O)(C(=O)O)C2)c1 1607376516 MKSIPCAWYUKDLQ-ZDUSSCGKSA-N 344.345 -0.575 10 20 EBCD C[C@@H](CN)CNC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 851687405 ADCOQYYHMLCZBL-ZDUSSCGKSA-N 348.447 -0.025 10 20 EBCD CN(CCS(N)(=O)=O)CC(=O)N(C)Cc1ccc(N(C)C)cc1 880080730 BVBQDQBNAWWPLG-UHFFFAOYSA-N 342.465 -0.069 10 20 EBCD COc1cc(C(=O)N[C@H]2CCN(Cc3nnnn3C)C2)cc(OC)n1 1015108040 NMJYKADLBJWTTL-NSHDSACASA-N 347.379 -0.373 10 20 EBCD CNS(=O)(=O)NCC(=O)N1CCOc2cc(N(C)C)ccc21 332662237 BTMSRYZNTUWBDA-UHFFFAOYSA-N 328.394 -0.468 10 20 EBCD CC(CO)(CO)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O 816760554 XUVOUFAKPNZIFP-UHFFFAOYSA-N 332.378 -0.516 10 20 EBCD COCCS(=O)(=O)CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 843298511 NVEXXRBSKHWQIN-CQSZACIVSA-N 343.449 -0.070 10 20 EBCD Nc1ccc(CCNC(=O)C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)cc1 843265674 UPAOEBKJRAHQLD-OCCSQVGLSA-N 346.387 -0.116 10 20 EBCD COc1cc(C(=O)NC2CN(CC(=O)N3CCC3)C2)cc(OC)n1 1030611814 ULPYEBCJCFYDHQ-UHFFFAOYSA-N 334.376 -0.255 10 20 EBCD C[C@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)S(C)(=O)=O 1327486178 PFHJSMZIVTZINR-SNVBAGLBSA-N 327.406 -0.523 10 20 EBCD CCN1CCN(CC(=O)NCc2cccc(OC)c2O)C(=O)C1=O 264290834 UQAJEGVRUAVRJM-UHFFFAOYSA-N 335.360 -0.292 10 20 EBCD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NCc1ccc(O)c(O)c1 272346988 PXEYZZXRXJRIBS-UXOAXIEHSA-N 346.339 -0.124 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2nnc3nc[nH]n23)c1 816655588 KMPIIAZXQVZKRM-UHFFFAOYSA-N 337.321 -0.218 10 20 EBCD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CNCCO3)cc2)C1 827468834 DSRSNDLNMVMNCG-GOEBONIOSA-N 346.431 -0.007 10 20 EBCD CCn1cnc2c(N3CC=C(CCNC(=O)C(N)=O)CC3)ncnc21 1089861901 JFAFMTPGWSNOOA-UHFFFAOYSA-N 343.391 -0.026 10 20 EBCD COc1ccc(N2CCN(C(=O)CNC3(C(N)=O)CC3)CC2)cc1 152418752 ABHGILQBGXUVPT-UHFFFAOYSA-N 332.404 -0.049 10 20 EBCD CCOC(=O)c1cnn2c(O)cc(CN(CCO)CCCO)nc12 264623019 OIJUVKUIDLNMTA-UHFFFAOYSA-N 338.364 -0.212 10 20 EBCD CN(C)c1ccc([C@@H](N)CNC(=O)CCn2cc[nH]c(=O)c2=O)cc1 843298356 MOHHEAPZMGCNKG-AWEZNQCLSA-N 345.403 -0.191 10 20 EBCD O=C(Cn1ncn2nccc2c1=O)OCC(=O)c1ccc(O)c(O)c1 1320879388 QTWRUOAAXSBCGO-UHFFFAOYSA-N 344.283 -0.272 10 20 EBCD C[C@H](CNC(=O)C(=O)N(C)Cc1ccccc1O)S(C)(=O)=O 1117434707 YZMMFKTUPVUGON-SNVBAGLBSA-N 328.390 -0.100 10 20 EBCD C[C@@H](CO)N(C[C@@H](C)O)C(=O)C(=O)NCc1ccc(N(C)C)cc1 283426448 JBYANQHTXSUGJL-QWHCGFSZSA-N 337.420 -0.041 10 20 EBCD O=C(CCNC(=O)c1cccc(O)c1O)N[C@@H]1CCS(=O)(=O)C1 790536942 BEHWEUMVXJIXCY-SECBINFHSA-N 342.373 -0.479 10 20 EBCD C[C@H](N)CNC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 884685047 WLPOYAKNDVLAJO-ZDUSSCGKSA-N 333.436 -0.482 10 20 EBCD COc1cc(C(=O)NC2CN([C@@H]3CCC(=O)NC3=O)C2)cc(OC)n1 1030612254 JCPHEOAWKBKCTI-LLVKDONJSA-N 348.359 -0.682 10 20 EBCD COC(=O)c1cn(CC(=O)NC[C@H](N)c2ccc(N(C)C)cc2)nn1 843297033 FAHCYKJSIBOULW-ZDUSSCGKSA-N 346.391 -0.053 10 20 EBCD COc1ccc(CNC[C@@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)cc1C 1753927673 OKHIZWPNGXWDKN-MCIONIFRSA-N 335.404 -0.308 10 20 EBCD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCO[C@@H](CN)C1 817918828 NOYLCMLDVPOFTM-HNNXBMFYSA-N 334.420 -0.103 10 20 EBCD CN(C)S(=O)(=O)N(C)CC(=O)NCCc1ccc(O)c(O)c1 845832674 GIEVZROSVKACAO-UHFFFAOYSA-N 331.394 -0.505 10 20 EBCD CNS(=O)(=O)[C@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1 768463331 RPMZTHQXZYNBMS-GWCFXTLKSA-N 328.390 -0.059 10 20 EBCD C[C@@H](NC(=O)Cc1ccc(N)cc1)C(=O)N1CCS(=O)(=O)CC1 1326040590 ACEUYRASCKATKL-LLVKDONJSA-N 339.417 -0.427 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCOC[C@@H]2C(=O)O)c1 833737968 OSYXCNQOOZZWNV-SNVBAGLBSA-N 344.345 -0.311 10 20 EBCD CN[C@H](C)CCNC(=O)C(=O)C(=O)C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2 1118120361 WDMHJFTWUSEXSZ-RFGFWPKPSA-N 349.431 -0.043 10 20 EBCD COC[C@@H](CCO)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 270429999 VUCDAGMHYVCJDB-SNVBAGLBSA-N 332.378 -0.109 10 20 EBCD COc1ccc(CNC[C@H](O)CNC(=O)C2(C(N)=O)CC2)cc1C 1753926634 YIFSTGDDAKNCDG-ZDUSSCGKSA-N 335.404 -0.164 10 20 EBCD CNC(=O)CC(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843248883 DWGSFUIECKROPD-UHFFFAOYSA-N 348.359 -0.554 10 20 EBCD Nc1ccc(CC(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 178803069 VSPAAOYFEQQPDB-MRXNPFEDSA-N 346.431 -0.139 10 20 EBCD CCOCCS(=O)(=O)NCC(=O)NCc1cccc(OC)c1O 269169531 GYSPVKVHYCTIPO-UHFFFAOYSA-N 346.405 -0.027 10 20 EBCD O=C(Cn1[nH]cc2c(=O)ncnc1-2)OCC(=O)c1ccc(O)c(O)c1 783553598 CTRMRUFOYZQCHB-UHFFFAOYSA-N 344.283 -0.092 10 20 EBCD COc1cc(C(=O)N[C@@H](C)CCNC(=O)CC(N)=O)cc(OC)n1 1075992642 KAPRRMOCPZQVJV-VIFPVBQESA-N 338.364 -0.401 10 20 EBCD COCc1cc(N2CC=C(CCNC(=O)CNC(N)=O)CC2)ncn1 1089804887 XLOPZWYDMLMMBX-UHFFFAOYSA-N 348.407 -0.066 10 20 EBCD C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@H]1N 842190728 HMASLOVAXIYQGO-CZUORRHYSA-N 346.431 -0.055 10 20 EBCD CN1CCN(C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CC1=O 846726642 HNOMPBQNNWJUKN-UHFFFAOYSA-N 336.367 -0.192 10 20 EBCD NC(=O)CC(=O)NCCC1=CCN(c2ncnc3[nH]cnc23)CC1 1089822029 KJOUEFMNYVPNIF-UHFFFAOYSA-N 329.364 -0.129 10 20 EBCD Cn1ncc2c(N3CC=C(CCNC(=O)C(N)=O)CC3)ncnc21 1089862502 TVCCCMRTWOVMAS-UHFFFAOYSA-N 329.364 -0.509 10 20 EBCD CN(C)c1ccc([C@@H](N)CNC(=O)c2cn(CC(N)=O)nn2)cc1 1118202885 HMNILNJUOZEDMW-LBPRGKRZSA-N 331.380 -0.741 10 20 EBCD O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC(O)(C(=O)O)C1 1601538529 AJWIOAKXJFGZFV-UHFFFAOYSA-N 349.387 -0.011 10 20 EBCD CN1CCCc2cc(CNC(=O)C(=O)N3CCNC(=O)C3)ccc21 285698142 LBRRKBXQJPZUOU-UHFFFAOYSA-N 330.388 -0.356 10 20 EBCD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 767777999 GHLNKOAIGXNWIN-ZDUSSCGKSA-N 349.387 -0.116 10 20 EBCD COc1ccc(N2CCN(CCNCCC(=O)NC(N)=O)CC2)cc1 818982583 OKFPADGARQWQFX-UHFFFAOYSA-N 349.435 -0.008 10 20 EBCD CN1C(=O)CN(CC(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)C1=O 876506121 FPEGVOPRDYPZAL-CYBMUJFWSA-N 333.392 -0.237 10 20 EBCD NS(=O)(=O)N1CCC(C(=O)NCc2ccc(O)c(O)c2)CC1 778930317 UFNOYQKSODTQNP-UHFFFAOYSA-N 329.378 -0.371 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)NCC(=O)N2CCOCC2)cc1 1322918699 FNVFVPFHGSQCHF-UHFFFAOYSA-N 348.403 -0.656 10 20 EBCD COc1cc(C(=O)N[C@H]2CCN(Cc3nnn(C)n3)C2)cc(OC)n1 1015105369 VMBBANAMUIQQSM-NSHDSACASA-N 347.379 -0.373 10 20 EBCD NC(=O)N=Nc1ccc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)cc1 1153047726 KJCRCTRTBUWADN-LLVKDONJSA-N 346.347 -0.026 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)NCCCN2CCNCC2)cc1 842227265 ZWHDCBATSQGDMC-UHFFFAOYSA-N 347.463 -0.220 10 20 EBCD COCC(=O)NCCCNCc1nnnn1-c1ccc(OC)cc1 1153985313 NVZQTOXJLVCTKJ-UHFFFAOYSA-N 334.380 -0.087 10 20 EBCD CN1CCN(c2ccc(CNC(=O)C(=O)N(C)CCN)cc2)CC1 885209937 GDBPOARQFJJPEY-UHFFFAOYSA-N 333.436 -0.528 10 20 EBCD O=C(O)C1(C(=O)NCc2cc(O)ccc2O)CCS(=O)(=O)CC1 1594862646 CALWXWZQGOIAIU-UHFFFAOYSA-N 343.357 -0.006 10 20 EBCD CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H]1CCNC1=O 1320507648 SCRRRVGMLBPAKS-JTQLQIEISA-N 327.362 -0.276 10 20 EBCD Nc1ccc(CNC(=O)NCCS(=O)(=O)N2CCOCC2)cc1 1580445539 IZLIRHJQKCWMGX-UHFFFAOYSA-N 342.421 -0.270 10 20 EBCD CC(=O)NCC(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250906 BKPBOYCVZCVAEM-UHFFFAOYSA-N 348.359 -0.554 10 20 EBCD CCOC(=O)c1cnn2c(O)cc(CN3CCCNC(=O)C3)nc12 726790621 GONHSBXTALALOJ-UHFFFAOYSA-N 333.348 -0.067 10 20 EBCD CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CCS(=O)(=O)N2)cc1 846663364 GVHQUDSDJUGCSR-STQMWFEESA-N 326.422 -0.440 10 20 EBCD NC(=O)C(=O)NCCC1=CCN(c2cc(-n3ccnc3)ncn2)CC1 1089862579 WYAAAGIJHZYTAI-UHFFFAOYSA-N 341.375 -0.210 10 20 EBCD Oc1cc2c(cc1CNCCn1cnc(-c3nn[nH]n3)n1)OCO2 1607110844 KKXRHPWGFRVZAP-UHFFFAOYSA-N 330.308 -0.318 10 20 EBCD O=C(CN1CCOCC1)N1CCN(C(=O)c2cccc(O)c2O)CC1 274909777 SYIMQEZOACIFCX-UHFFFAOYSA-N 349.387 -0.286 10 20 EBCD C[C@H](NC=O)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1845178030 PAFMTHJDJHMUNF-JTQLQIEISA-N 348.359 -0.556 10 20 EBCD CN1CCN(c2ccc(CNC(=O)N3CC(O)(C(=O)O)C3)cc2)CC1 1606245765 VCTCVKHRLOFOSH-UHFFFAOYSA-N 348.403 -0.221 10 20 EBCD CC(=O)N[C@@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)C(N)=O 1252051854 SFPNEYKLUKCAEH-HNNXBMFYSA-N 348.403 -0.481 10 20 EBCD CN(C)S(=O)(=O)N1CCN(C(=O)NCc2ccc(N)cc2)CC1 1120677519 RLYYUQLESRSJSD-UHFFFAOYSA-N 341.437 -0.098 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCc2nc[nH]n2)c1 748362444 ZCKSXIGJJMDJMF-UHFFFAOYSA-N 325.350 -0.146 10 20 EBCD CC(=O)N1CCN(c2ccc(CNC(=O)C3(O)CNC3)cc2)CC1 852890853 QIQBRLINTLPOAJ-UHFFFAOYSA-N 332.404 -0.694 10 20 EBCD CN1CCCc2cc(CNC(=O)C(=O)NC[C@@H]3COCCN3)ccc21 861750668 TUSOVHKGYSXOBO-OAHLLOKOSA-N 346.431 -0.210 10 20 EBCD C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H](C(N)=O)O1 122103678 HSCMWZMOZFCFMX-DOMZBBRYSA-N 334.420 -0.057 10 20 EBCD COc1ccc(N2CCN(C[C@H](O)CNC[C@H](O)CO)CC2)cc1 843064229 XHZKJNFMCVVQRC-CVEARBPZSA-N 339.436 -0.879 10 20 EBCD COc1cc(C(=O)NC2CN(C(=O)c3cnon3)C2)cc(OC)n1 996369395 WHIABIGUWXXHFO-UHFFFAOYSA-N 333.304 -0.264 10 20 EBCD CNCCNC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1327839811 BSZRUPNFERCPIR-UHFFFAOYSA-N 334.420 -0.401 10 20 EBCD CN(CC(N)=O)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 51827770 RXVGMELFTGMIHX-UHFFFAOYSA-N 338.383 -0.304 10 20 EBCD CN(C)c1ccc(CNC(=O)CN2CCOC[C@H]2CC(N)=O)cc1 839617255 ZTUMVNJZRWSOEA-OAHLLOKOSA-N 334.420 -0.055 10 20 EBCD Cc1nc(=NC(=O)c2cc(NS(C)(=O)=O)ccc2O)n(C)[nH]1 857177982 YYPYGZKEHLTBNL-UHFFFAOYSA-N 325.350 -0.125 10 20 EBCD CC(=O)C(=O)CN1C(=O)N[C@](C)(c2ccc(-n3cnnn3)cc2)C1=O 808021183 CONZICUSKIQEAY-OAHLLOKOSA-N 342.315 -0.413 10 20 EBCD CCN(CC)c1ccc(CNC(=O)C(=O)N2CC(O)(C(=O)O)C2)cc1 1605434831 FBIUMARHJKLPID-UHFFFAOYSA-N 349.387 -0.193 10 20 EBCD COc1cc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cc(OC)n1 996377995 GKJYBXLDSDCBLY-MNOVXSKESA-N 348.359 -0.839 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1 785424708 LNBFTYWECCPAHB-CYBMUJFWSA-N 334.376 -0.919 10 20 EBCD C[C@@H](N)CNC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 884685046 WLPOYAKNDVLAJO-CYBMUJFWSA-N 333.436 -0.482 10 20 EBCD Cn1ncc2c(N3CC=C(CCNC(=O)CC(N)=O)CC3)ncnc21 1089822240 WKWNHRQEJYFWQB-UHFFFAOYSA-N 343.391 -0.119 10 20 EBCD C[C@@H](CN)NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1327840211 GINQBMUQEILWON-LBPRGKRZSA-N 334.420 -0.273 10 20 EBCD CCOC(=O)[C@H](N)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1262044767 VROSPNYUZCIZMC-OAHLLOKOSA-N 334.420 -0.055 10 20 EBCD Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)c(O)c1O 1607728564 OYHAHISGIUVKHM-SECBINFHSA-N 329.330 -0.270 10 20 EBCD COc1ccc(-n2nnnc2CN[C@@H](C)CN(C)C(=O)C(N)=O)cc1 1755601963 IRRUCCRBGBNYAM-JTQLQIEISA-N 347.379 -0.907 10 20 EBCD CN(C)c1ccc(CNC(=O)CN2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1 366786461 JHEAAIBCWHBSCK-HOTGVXAUSA-N 346.431 -0.042 10 20 EBCD COc1cc(N2CCN(S(N)(=O)=O)CC2)c([N+](=O)[O-])cc1OC 271045090 OCKSFKJXVYGZLC-UHFFFAOYSA-N 346.365 -0.063 10 20 EBCD COc1cc(C(=O)N[C@H]2C[C@H](NCc3nnnn3C)C2)cc(OC)n1 1020352597 XGTBQTMLQFFJRG-XYPYZODXSA-N 347.379 -0.327 10 20 EBCD COc1ccc(O)c(CNC(=O)Cn2cc(S(N)(=O)=O)cn2)c1 734018904 MPNBYEDBVDWCRG-UHFFFAOYSA-N 340.361 -0.439 10 20 EBCD COc1cc(C(=O)NC2CN(CCN3CCNC3=O)C2)cc(OC)n1 1030614820 RSQXLEXCQIGLLQ-UHFFFAOYSA-N 349.391 -0.462 10 20 EBCD COc1ccc(CNC[C@@H](O)CNC(=O)C2(C(N)=O)CC2)cc1C 1753926633 YIFSTGDDAKNCDG-CYBMUJFWSA-N 335.404 -0.164 10 20 EBCD COCCONC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 788330176 BLOLYEACAGBEMC-UHFFFAOYSA-N 337.376 -0.166 10 20 EBCD O=C1C[C@H](C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)N1 822759580 UEVTVWLPJQEBTC-CYBMUJFWSA-N 337.401 -0.574 10 20 EBCD COc1cc(C(=O)N[C@H]2COC3(C2)CN(CCO)C3)cc(OC)n1 1053858795 RJXZWNREBYHDOU-GFCCVEGCSA-N 337.376 -0.336 10 20 EBCD CNC(=O)Cn1nc(NC(=O)C(=O)NCc2ccccc2O)cc1C 1253948146 ARNVKJJGRUZMTB-UHFFFAOYSA-N 345.359 -0.102 10 20 EBCD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CNCCO3)cc2)C1 827468835 DSRSNDLNMVMNCG-HOCLYGCPSA-N 346.431 -0.007 10 20 EBCD CN1CC(=O)N(CC(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)C1=O 843298753 OZIPALDTGJLXBN-CYBMUJFWSA-N 333.392 -0.237 10 20 EBCD CN1CCN(CCN(CC(=O)O)C(=O)c2cccc(O)c2O)CC1 1606241907 WSQMHKONIGHVQE-UHFFFAOYSA-N 337.376 -0.128 10 20 EBCD CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC2CNC2)N(C)C)cc1 911288709 UIULSJCJMYPMFX-OAHLLOKOSA-N 333.436 -0.441 10 20 EBCD CNS(=O)(=O)CC(=O)NCCNCc1ccc(OC)c(C)c1 1151379637 MGQMFBCTVVVSGB-UHFFFAOYSA-N 329.422 -0.241 10 20 EBCD O=C(NC[C@H]1C[C@H]2C=C[C@H]1CC2)C(=O)C(=O)C(=O)N[C@@H]1CCCNC1 1118118606 IUFUMIXKZWJAQB-IGQOVBAYSA-N 347.415 -0.289 10 20 EBCD COc1ccc(N2CCN(CCNC(=O)[C@H]3C[C@H](O)CN3)CC2)cc1 269286209 IPGKRWSEEKJMEA-DOTOQJQBSA-N 348.447 -0.344 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)NCCS(C)(=O)=O)cc1F 283990710 JNJHBEDJQRYIPE-UHFFFAOYSA-N 345.396 -0.331 10 20 EBCD CN(C)c1ccc([C@@H](CNC(=O)C(=O)N2CCNCC2)N(C)C)cc1 911581045 ZDFPGGCVWIMRSH-MRXNPFEDSA-N 347.463 -0.097 10 20 EBCD CN(C)CC(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1842678855 WBSYLBSKTUGKKH-UHFFFAOYSA-N 334.376 -0.129 10 20 EBCD COc1ccc(N2CCN(C[C@@H](O)CN3CCNC(=O)C3)CC2)cc1 779216514 QNNCOOHPYRJBGK-MRXNPFEDSA-N 348.447 -0.390 10 20 EBCD CCN(CCO)C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 898327541 LXVNFOXFRBASQZ-UHFFFAOYSA-N 348.447 -0.105 10 20 EBCD CN1CCN(c2ccc(CNC(=O)NC3(CCO)CNC3)cc2)CC1 1578536280 JFOQIRVNOZFGIO-UHFFFAOYSA-N 347.463 -0.038 10 20 EBCD C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N(C)Cc1ccccc1O 1342185274 UZFYDRPDCDHZDK-SNVBAGLBSA-N 328.390 -0.100 10 20 EBCD NCC(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1842879180 YZSLANVIMLVFGE-UHFFFAOYSA-N 342.446 -0.991 10 20 EBCD NC(=O)CN1C[C@H]2C(NC(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 962969223 DMGOSMQKSSBQAQ-GHMZBOCLSA-N 330.348 -0.006 10 20 EBCD C[C@@H](CN)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249743 SMOTZSZKPIZIII-JTQLQIEISA-N 334.376 -0.095 10 20 EBCD Nc1ccc(CC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 237889299 OSYVFDHKOLCSGP-UHFFFAOYSA-N 346.431 -0.186 10 20 EBCD N[C@H]1C[C@@H](CNC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C1 1119359875 DWYNSLWQAZQPOJ-GASCZTMLSA-N 346.431 -0.007 10 20 EBCD COc1ccc(N2CCN(CCNC(=O)C[C@@H](O)CN)CC2)cc1 1341734314 VUXRUNMKQWRZRZ-OAHLLOKOSA-N 336.436 -0.357 10 20 EBCD CN1CC[C@](O)(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 762715208 ASOLLIHOUFWJCR-AWEZNQCLSA-N 343.405 -0.440 10 20 EBCD CON(C)C(=O)[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 863629035 ZGMLFSJALPHEIU-QMMMGPOBSA-N 345.377 -0.098 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)cc1 1317921469 AARADZNBEWKEMA-UHFFFAOYSA-N 344.375 -0.311 10 20 EBCD CN1C(=O)C(=CNNc2ccc(-n3ccnc3)nn2)C(=O)N(C)C1=O 794700059 OUAFQURGAPFGSP-UHFFFAOYSA-N 342.319 -0.487 10 20 EBCD CN(C)c1ccc(CNC(=O)CN2CCOC[C@]2(CN)CO)cc1 886844739 NGIVXFNFCMMVRJ-KRWDZBQOSA-N 336.436 -0.609 10 20 EBCD CN(Cc1ccccc1O)C(=O)C(=O)NCCCS(C)(=O)=O 1117102024 PTYAISJHJMMNCS-UHFFFAOYSA-N 328.390 -0.099 10 20 EBCD COc1ccc(N2CCN(CCN3C(=O)N[C@H](CO)C3=O)CC2)cc1 1335230126 YYKRXIKBIPLZJY-OAHLLOKOSA-N 348.403 -0.270 10 20 EBCD COc1ccc(N2CC[C@H](CNC(=O)C(=O)NC3CNC3)C2)cc1 818678590 YCMZRZXUTKHXJR-GFCCVEGCSA-N 332.404 -0.274 10 20 EBCD COC(=O)[C@H]1C[C@H](O)CN1CC(=O)NCc1ccc(N(C)C)cc1 298427053 GEIGDNKPPOASQS-LSDHHAIUSA-N 335.404 -0.023 10 20 EBCD Nc1ccc(CC(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)cc1 314716210 LFPCWNXEJVWZSM-GFCCVEGCSA-N 326.422 -0.157 10 20 EBCD CC(C)CN1C(=O)/C(=C/NNS(=O)(=O)C(C)C)C(=O)NC1=S 749969789 XHLGOAVAARTETE-WEVVVXLNSA-N 348.450 -0.398 10 20 EBCD CN1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC1=O 846732005 LTHZWKMWYUFBFQ-UHFFFAOYSA-N 342.399 -0.020 10 20 EBCD NC[C@H](NC(=O)C(=O)C(=O)C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2)C1CC1 1327839374 LPFZECDEAJODAL-IMIFBBOLSA-N 347.415 -0.303 10 20 EBCD CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H](O)CN)cc2)CC1 1341929635 XZYCAWDALUPEHN-MRXNPFEDSA-N 334.420 -0.319 10 20 EBCD CS(=O)(=O)C[C@H](NCc1ccc(N2CC[C@H](O)C2)cc1)C(=O)O 1777396194 XIGHJNUAJIFORB-KBPBESRZSA-N 342.417 -0.155 10 20 EBCD Cn1ncnc1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 853798673 RPJBYKVONJBXLU-UHFFFAOYSA-N 349.416 -0.020 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCCN2CCNC2=O)c1 808509834 WDSCGBFJHSBMJC-UHFFFAOYSA-N 343.361 -0.054 10 20 EBCD COc1ccc(N2CCN(C(=O)CNC(=O)CN)CC2)c(OC)c1 877227562 LUNXISBGSLKZMM-UHFFFAOYSA-N 336.392 -0.573 10 20 EBCD CN(CCO)C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1329200469 QXPUWTXDVCZVJH-UHFFFAOYSA-N 335.404 -0.285 10 20 EBCD CN1CCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H](CN)C1 817989451 LWUPYFMXADIZTJ-INIZCTEOSA-N 347.463 -0.188 10 20 EBCD COc1ccc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)c(O)c1OC 892213017 UGQFTZGXCDBMGF-NSHDSACASA-N 335.360 -0.448 10 20 EBCD COC(=O)[C@@H]1C[C@H](O)CN1CC(=O)NCc1ccc(N(C)C)cc1 298427039 GEIGDNKPPOASQS-GJZGRUSLSA-N 335.404 -0.023 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCO[C@@H](C(=O)O)C2)c1 738137914 AFRSZGIKMCDSMD-LLVKDONJSA-N 344.345 -0.311 10 20 EBCD CCOC(=O)c1cnn2c(O)cc(CN3C[C@H](O)C[C@H]3C(N)=O)nc12 854112874 BIXNGDKXXSEVIA-KOLCDFICSA-N 349.347 -0.968 10 20 EBCD COc1ccc(N2CCN(C[C@@H](O)Cn3cc(CO)nn3)CC2)cc1 881420551 YQWGGLZYYWLBNO-MRXNPFEDSA-N 347.419 -0.038 10 20 EBCD O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(O)c1O 276491607 ASLRECJDTFKIII-GFCCVEGCSA-N 349.387 -0.239 10 20 EBCD COc1ccc(N2CC[C@@H](CNC(=O)[C@H](CO)NC(N)=O)C2)cc1 819585885 JHQDBWPASDENRW-FZMZJTMJSA-N 336.392 -0.333 10 20 EBCD CN(CCO)C(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 284110633 WQAQCBSTJBAVBC-UHFFFAOYSA-N 339.367 -0.271 10 20 EBCD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCNC1 851686504 PCOSKOTYSQHVEI-AWEZNQCLSA-N 332.404 -0.383 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)N2CCCO[C@H](CN)C2)cc1 842036766 XDNDWLWFJMLYOC-OAHLLOKOSA-N 334.420 -0.055 10 20 EBCD NC[C@@H]1CN(C(=O)C(=O)NCCCSc2nccs2)CCO1 842092360 LCTBDTXYNXJXSJ-SNVBAGLBSA-N 344.462 -0.072 10 20 EBCD COc1ccc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)c(O)c1OC 892213016 UGQFTZGXCDBMGF-LLVKDONJSA-N 335.360 -0.448 10 20 EBCD COc1ccc(N2CCN(C(=O)C(=O)N(C)CCN)CC2)cc1F 1325756633 YMMRWXRAIANGDL-UHFFFAOYSA-N 338.383 -0.100 10 20 EBCD CN1C(=O)C(=O)N(CC(=O)N2CCOc3cc(N(C)C)ccc32)C1=O 266352396 PJPLDXKEMPTQMN-UHFFFAOYSA-N 346.343 -0.101 10 20 EBCD COc1ccc(CNC(=O)CN2CCS(=O)(=O)CC2)c(O)c1 794382564 CUSFMOIEWGWXTE-UHFFFAOYSA-N 328.390 -0.253 10 20 EBCD C[C@@H](NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1)c1ccc(N(C)C)cc1 807675785 AOUMBKVDNUJUCS-BXUZGUMPSA-N 348.403 -0.358 10 20 EBCD NC(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc(N)cc1 1328951914 JDYXIOSVTUJIIC-ZDUSSCGKSA-N 333.392 -0.337 10 20 EBCD CC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1795060417 AXWBOCQIRNPVJO-GNXNZQSNSA-N 349.343 -0.715 10 20 EBCD COc1ccc(N2CCN(CCNC(=O)[C@@H](CN)OC)CC2)cc1 289817616 AQNZMKRISUAFAL-MRXNPFEDSA-N 336.436 -0.093 10 20 EBCD NS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(O)c(O)c2)C1 830555583 ZTOGTMWPBPUFMG-JTQLQIEISA-N 329.378 -0.371 10 20 EBCD Cn1nnc(CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)n1 1329136178 FJZBXHPNTVWPOB-UHFFFAOYSA-N 341.375 -0.481 10 20 EBCD CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CNCCO3)cc2)CC1 832173632 STUCBRQXPXKGLQ-KRWDZBQOSA-N 346.431 -0.040 10 20 EBCD O=C1CN(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCN1 912709906 YHVVOUATCFZIEA-UHFFFAOYSA-N 346.431 -0.304 10 20 EBCD COc1ccc(N2CCN(CCNC(=O)CNC(=O)CN)CC2)cc1 274401038 GSYMNMYWLXTCPZ-UHFFFAOYSA-N 349.435 -0.992 10 20 EBCD O=C(NCc1ccc(N2CCC(O)CC2)cc1)C(=O)NC1CNC1 851687808 IPYPLXNSHKDDPO-UHFFFAOYSA-N 332.404 -0.648 10 20 EBCD CN(C)C(=O)CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C 129152915 QJKSHDGSRGGSDG-UHFFFAOYSA-N 332.404 -0.110 10 20 EBCD Cn1nnc(COC(=O)c2cc(NS(C)(=O)=O)ccc2O)n1 799477914 LNSNOANIOCHLGE-UHFFFAOYSA-N 327.322 -0.356 10 20 EBCD CNC[C@H](C)NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 851686588 PWGOYWIXPUEJNA-ZDUSSCGKSA-N 334.420 -0.137 10 20 EBCD COc1cccc(CNC(=O)NCCNS(=O)(=O)N(C)C)c1O 854108033 PLIULMDDQPLBDC-UHFFFAOYSA-N 346.409 -0.404 10 20 EBCD Cc1c(NC=C2C(=O)NC(=S)NC2=O)cccc1-n1cnnn1 920980088 WKVSVXYYWVBUQY-UHFFFAOYSA-N 329.345 -0.203 10 20 EBCD NCC(=O)NCC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1349081381 DJIPWRPOCOSGQC-CYBMUJFWSA-N 347.419 -0.921 10 20 EBCD O=C([C@@H]1C=CCN1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249801 BBHHICMUUDVQCK-LBPRGKRZSA-N 344.371 -0.162 10 20 EBCD CN1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@H](N)C3)cc2)CC1 885210143 KGQTWKWEJCSHEH-OAHLLOKOSA-N 345.447 -0.386 10 20 EBCD O=C1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCN1 288587873 OXXFBRFYCQQPFL-UHFFFAOYSA-N 328.372 -0.363 10 20 EBCD O=C1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)NC(=O)N1 816899416 SRRAVUIMFHOUTB-ZDUSSCGKSA-N 332.360 -0.263 10 20 EBCD NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)cc1 958732736 QBKSYGPKZGZSMB-DGCLKSJQSA-N 335.364 -0.136 10 20 EBCD COCCN(CC(=O)O)C(=O)c1cc(NS(C)(=O)=O)ccc1O 820718982 KLGXVIKMLKXWLM-UHFFFAOYSA-N 346.361 -0.063 10 20 EBCD CNC(=O)CC(=O)NCCNCc1nnnn1-c1ccc(OC)cc1 1126169002 CGWOGUCVLPUADU-UHFFFAOYSA-N 347.379 -0.987 10 20 EBCD CNS(=O)(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 795825712 UPEFGZGSFWJHOI-UHFFFAOYSA-N 333.435 -0.525 10 20 EBCD NC(=O)N[C@H](CO)C(=O)NCc1cccc(Br)c1O 765730403 UVAAVBDZBKZVFQ-MRVPVSSYSA-N 332.154 -0.200 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCn2ccnn2)c1 782831714 XJMQKYDNVZMTJK-UHFFFAOYSA-N 325.350 -0.215 10 20 EBCD C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 832282300 YNQJPNRXXKXLMO-GXFFZTMASA-N 328.438 -0.194 10 20 EBCD NC(=O)N=Nc1ccc(C(=O)NCCNCC(=O)NC(N)=O)cc1 1153037525 PICHYBHCUMBVMH-UHFFFAOYSA-N 335.324 -0.637 10 20 EBCD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCS(C)(=O)=O 283984365 JFVRWGVDVWKIKC-UHFFFAOYSA-N 341.433 -0.128 10 20 EBCD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NCCc1ccc(N)cc1 851663282 XVAWMJWNUJKXJF-CHWSQXEVSA-N 327.406 -0.078 10 20 EBCD CN1C(=O)[C@@H]2CN(CC(=O)NCc3ccc(N(C)C)cc3)C[C@@H]2C1=O 879533287 LRUYISUUDNBILZ-GASCZTMLSA-N 344.415 -0.085 10 20 EBCD Cn1nncc1CNC(=O)c1cc(NS(C)(=O)=O)ccc1O 288541839 HQWOINRATMNGBG-UHFFFAOYSA-N 325.350 -0.178 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CCNC2=O)cc1F 1322172945 YWYMWPGWXHQSML-CYBMUJFWSA-N 336.367 -0.145 10 20 EBCD COC(=O)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H](C)O 274553075 IFBCZKSFIYCKSP-RDDDGLTNSA-N 346.361 -0.584 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCc2nc(=O)o[nH]2)c1 790076097 AEZRTXGVOQWQGP-UHFFFAOYSA-N 342.333 -0.588 10 20 EBCD NC(=O)C(=O)NCCC1=CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1606400736 PKZIRFXUYIIAOW-UHFFFAOYSA-N 342.363 -0.610 10 20 EBCD CN(C)c1ccc(CNC(=O)CN2CCNC(=O)[C@@H]2CC(=O)O)cc1 737377185 IWMQTKOAYKIDIV-AWEZNQCLSA-N 348.403 -0.356 10 20 EBCD CN(C)c1ccc(CNC(=O)CNC2(C(N)=O)CCOCC2)cc1 852494311 ZWUKGQBCPAQWLJ-UHFFFAOYSA-N 334.420 -0.007 10 20 EBCD COc1ccc(N2CCN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)CC2)cc1 854198675 NUQNWGPGNIKKBE-BRWVUGGUSA-N 348.399 -0.243 10 20 EBCD COC(=O)c1cc(CNC=C2C(=O)NC(=S)NC2=O)ccc1OC 920978846 UHDYFRKROYGXDF-UHFFFAOYSA-N 349.368 -0.014 10 20 EBCD COCCNC(=O)CN1CCN(C(=O)Cc2ccc(N)cc2)CC1 237130935 QJXYRIRIQBNFEB-UHFFFAOYSA-N 334.420 -0.282 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)O[C@@H]2CCC(=O)NC2=O)c1 798603863 IOBGVJLBCFYWLZ-SNVBAGLBSA-N 342.329 -0.274 10 20 EBCD COc1ccc(N2CCN(S(=O)(=O)CCNC(N)=O)CC2)cc1 849228034 ZQBXNDWPSBGIGU-UHFFFAOYSA-N 342.421 -0.185 10 20 EBCD CN1CCO[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1=O 900338297 UVRSAFPGJCMPCW-HNNXBMFYSA-N 333.388 -0.003 10 20 EBCD CNC[C@@H](C)CNC(=O)C(=O)C(=O)C(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2 1329023516 JVWYYBNHZOTDHQ-ZOBORPQBSA-N 349.431 -0.185 10 20 EBCD O=C(O)[C@H]1CS(=O)(=O)CCN1C(=O)/C=C\c1ccc(O)c(O)c1 1594959648 ADNHKGLBOCWLPT-WUWIAWFRSA-N 341.341 -0.179 10 20 EBCD C[C@H](CN)NC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 884704679 OZOZVICOYDXGRH-CYBMUJFWSA-N 333.436 -0.482 10 20 EBCD COc1cc(C(=O)N[C@H]2C[C@@H](N[C@@H]3CCNC3=O)C2)cc(OC)n1 1022367397 DRLZAJUZFCTTIX-GRYCIOLGSA-N 334.376 -0.162 10 20 EBCD COc1ccc(N2CCN(CCNC(=O)[C@@H]3CNCCO3)CC2)cc1 269309372 VRVSNXZQWLLTQF-KRWDZBQOSA-N 348.447 -0.078 10 20 EBCD COC(=O)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H](C)O 274553066 IFBCZKSFIYCKSP-CPCISQLKSA-N 346.361 -0.584 10 20 EBCD CC(=O)NCC(=O)NCCC1=CCN(c2ccc3nnnn3n2)CC1 1089807680 PIFNNOKZBFZPPF-UHFFFAOYSA-N 344.379 -0.702 10 20 EBCD CNS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 1322621446 HVMNMUCCWYOLHS-UHFFFAOYSA-N 342.421 -0.966 10 20 EBCD COc1cc(C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C2)cc(OC)n1 1015104883 UUVSHKROUKSFMO-GFCCVEGCSA-N 336.392 -0.009 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)N2CCOC[C@H]2CCO)cc1 1262223294 OVWQKHBWNPSSBN-OAHLLOKOSA-N 335.404 -0.021 10 20 EBCD COCCN1C(=O)/C(=C\NCCCn2ccnc2)C(=O)NC1=S 60861393 HERABOQTGFGHFO-LUAWRHEFSA-N 337.405 -0.364 10 20 EBCD COC(=O)c1nccc(N2CC=C(CCNC(=O)C(N)=O)CC2)n1 1089862550 VSFYUIIRMVHBEI-UHFFFAOYSA-N 333.348 -0.609 10 20 EBCD C[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)N1CCS(=O)(=O)CC1 1326040591 ACEUYRASCKATKL-NSHDSACASA-N 339.417 -0.427 10 20 EBCD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCO[C@H](C(=O)O)C1 817115596 NOMKPOAWBUUUJX-AWEZNQCLSA-N 349.387 -0.011 10 20 EBCD COc1cc(C(=O)NC2CN([C@H]3CCN(C)C3=O)C2)cc(OC)n1 1030614104 BTPBWIMPSOWEKK-LBPRGKRZSA-N 334.376 -0.257 10 20 EBCD O=C(NC[C@@H]1CCCN1)C(=O)C(=O)C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2 1118118612 IVBQGINMQPOKDM-XUXIUFHCSA-N 347.415 -0.289 10 20 EBCD CC(=O)NCC(=O)NCCC1=CCN(c2nccn3nnnc23)CC1 1089807025 DVYXHCPQHCGRRL-UHFFFAOYSA-N 344.379 -0.702 10 20 EBCD COCCC(=O)NCCNCc1nnnn1-c1ccc(OC)cc1 1122394336 UMOSDCKQFKFAEV-UHFFFAOYSA-N 334.380 -0.087 10 20 EBCD COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 1329787807 UFOOMPXPYGKDEC-HUUCEWRRSA-N 335.404 -0.023 10 20 EBCD CNS(=O)(=O)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 267592295 LEPBFFHALWXXSL-UHFFFAOYSA-N 345.396 -0.172 10 20 EBCD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N1CC[C@H](CO)C1 284050184 MTSNZBMBIAGMHM-HNNXBMFYSA-N 347.415 -0.020 10 20 EBCD COc1ccc(N2CCN(C(=O)CN(CCO)CCO)CC2)cc1 754249160 HAIQUCNVZABSSN-UHFFFAOYSA-N 337.420 -0.370 10 20 EBCD O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)N1 845268534 FEZLBUKVZGCCPU-AWEZNQCLSA-N 339.417 -0.169 10 20 EBCD NC(=O)CC(=O)NCCC1=CCN(c2ccnc(C(=O)O)n2)CC1 1601145639 KGAATBBXQATTMP-UHFFFAOYSA-N 333.348 -0.307 10 20 EBCD CN(C)S(=O)(=O)N1CCN(C(=O)Cc2ccc(N)cc2)CC1 315592419 OHZRKTWUUPLEEG-UHFFFAOYSA-N 326.422 -0.238 10 20 EBCD C[C@H](O)CN(C(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@H](C)CO 283426445 JBYANQHTXSUGJL-OLZOCXBDSA-N 337.420 -0.041 10 20 EBCD COC[C@](C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)O 833721527 PCKFNBVDVSTGPM-ZDUSSCGKSA-N 346.361 -0.017 10 20 EBCD COc1ccc(CNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)c(O)c1 846950278 MNUBBRGMDKDKKH-LLVKDONJSA-N 343.405 -0.068 10 20 EBCD C[C@H](CN)N(C)C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 885210209 MNZKEVPHLTULSB-CQSZACIVSA-N 347.463 -0.140 10 20 EBCD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CC(=O)N1 1118754545 JVVDATRZBPGTOL-MNOVXSKESA-N 336.344 -0.033 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC[C@](O)(C(=O)O)C2)c1 1607376515 MKSIPCAWYUKDLQ-CYBMUJFWSA-N 344.345 -0.575 10 20 EBCD O=C(NCCCSc1nccs1)C(=O)NC[C@H]1COCCN1 861742649 HOOIIAPVILAQRW-JTQLQIEISA-N 344.462 -0.154 10 20 EBCD CNCCCNC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 851688245 UIENDHPBYOYFQF-UHFFFAOYSA-N 348.447 -0.010 10 20 EBCD CCOC(=O)CCCN/C=C1/C(=O)NC(=S)N(CCOC)C1=O 299252323 DGYSMVSDAHFRSJ-KTKRTIGZSA-N 343.405 -0.307 10 20 EBCD O=C1CNC(=O)N1CCN1C(=O)CN(Cc2ccccc2O)C1=O 819167885 JEHCGQMBVHEVCA-UHFFFAOYSA-N 332.316 -0.292 10 20 EBCD C[C@H](NCCNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)NC(N)=O 1153037985 XUFQKXVARAHBHX-QMMMGPOBSA-N 349.351 -0.248 10 20 EBCD COc1ccc(CNC[C@H](O)CNC(=O)[C@@H]2COCCO2)cc1C 1753906097 PUZHUATXYFXIGK-HOCLYGCPSA-N 338.404 -0.014 10 20 EBCD CN1CCN(c2ccc(CNC(=O)NCC3(O)CNC3)cc2)CC1 1578536166 DQXHGVUSVUYGAC-UHFFFAOYSA-N 333.436 -0.428 10 20 EBCD CN(C)c1ccc(CNC(=O)CN2CCNC(=O)[C@H]2CC(=O)O)cc1 737377186 IWMQTKOAYKIDIV-CQSZACIVSA-N 348.403 -0.356 10 20 EBCD CNS(=O)(=O)[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1 768463340 RPMZTHQXZYNBMS-MFKMUULPSA-N 328.390 -0.059 10 20 EBCD Cn1cc(S(=O)(=O)NCC(=O)NCc2ccc(O)c(O)c2)cn1 778918940 PNYJGNDCDNBMEB-UHFFFAOYSA-N 340.361 -0.574 10 20 EBCD C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC(=O)N1 857526539 XRXFHADLVXAXCD-MRVPVSSYSA-N 327.362 -0.276 10 20 EBCD CN(CC(=O)NCc1ccc(O)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1321157597 OMZHQHFTYLIYBP-LLVKDONJSA-N 328.390 -0.167 10 20 EBCD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N1CCNCC1 842191402 LWEXJKGJTMEGPI-UHFFFAOYSA-N 332.404 -0.429 10 20 EBCD CNC(=O)NCC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 761145845 MWUNBRJSTGMBBH-ZDUSSCGKSA-N 347.419 -0.067 10 20 EBCD COCCNC(=O)CN1CCN(C(=O)NCc2ccc(N)cc2)CC1 1335736511 BMYSOTHRNWLXFD-UHFFFAOYSA-N 349.435 -0.141 10 20 EBCD O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cc(O)cs1 732281341 ZSXLFRPYMBPUHY-WDEREUQCSA-N 346.430 -0.319 10 20 EBCD CCOCCS(=O)(=O)NCC(=O)NCc1cc(OC)ccc1O 758342697 JBKHDLQJFUTSOA-UHFFFAOYSA-N 346.405 -0.027 10 20 EBCD COCCN1C(=O)/C(=C\NNc2cccc(F)n2)C(=O)NC1=S 794698026 GJHNXFQURUIUGP-FPLPWBNLSA-N 339.352 -0.089 10 20 EBCD CN(C)c1ccc(CNC(=O)CN2CCN(CC(N)=O)CC2)cc1 171633237 GHHURRWGWSTIJM-UHFFFAOYSA-N 333.436 -0.528 10 20 EBCD CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H]1COC[C@H]1O 286325034 ACVAXZNSZKQULQ-ZYHUDNBSSA-N 330.362 -0.405 10 20 EBCD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CNS(=O)(=O)N(C)C 831924146 CPLSANACXXFGAT-VIFPVBQESA-N 331.394 -0.459 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cc(C(N)=O)[nH]n2)c1 757903137 IEWIHZSUWYXLGS-UHFFFAOYSA-N 339.333 -0.162 10 20 EBCD O=C(NCCn1cnc(-c2nn[nH]n2)n1)N1Cc2cccc(O)c2C1 1606801834 CBPURXDDUGEMAF-UHFFFAOYSA-N 341.335 -0.111 10 20 EBCD C[C@H](NC=O)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250643 VYSGTHZZKZQDBL-JTQLQIEISA-N 348.359 -0.556 10 20 EBCD C[C@@H](NC=O)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1845178031 PAFMTHJDJHMUNF-SNVBAGLBSA-N 348.359 -0.556 10 20 EBCD C[C@H](N)[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CCO1 842035798 IZHMEUJBYLYGTB-SWLSCSKDSA-N 334.420 -0.057 10 20 EBCD COC(=O)N1CCN(C(=O)C(=O)NCCc2ccc(N)cc2)CC1 1328768581 NNJVLAFJWISTAI-UHFFFAOYSA-N 334.376 -0.162 10 20 EBCD C[C@H](NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1)c1ccc(N(C)C)cc1 807675786 AOUMBKVDNUJUCS-FZMZJTMJSA-N 348.403 -0.358 10 20 EBCD C[C@H](O)CN(C)C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 898324614 RBFHGUSPALTQBJ-AWEZNQCLSA-N 348.447 -0.106 10 20 EBCD COc1ccc(N2CCC(NC(=O)[C@@H](CO)NC(N)=O)CC2)cc1 765484720 AMJIICSNJVSSIG-CQSZACIVSA-N 336.392 -0.191 10 20 EBCD CNS(=O)(=O)CCNC(=O)C(=O)N(C)Cc1ccccc1O 1322925546 GFPUFKRUUXPYGW-UHFFFAOYSA-N 329.378 -0.984 10 20 EBCD COc1ccc(N2CCN(C(=O)C(=O)N(C)CCO)CC2)cc1F 1325815746 ISAZEONCCXZLOK-UHFFFAOYSA-N 339.367 -0.066 10 20 EBCD C[C@@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)C(=O)O 1593566374 YFEOKCVXZJNJBU-ZCFIWIBFSA-N 331.302 -0.037 10 20 EBCD CCN1CCN(c2ccc(CNC(=O)C3(O)CNC3)cc2F)CC1 852872143 BOWPTPYWHOPRRJ-UHFFFAOYSA-N 336.411 -0.082 10 20 EBCD C[C@H](CS(C)(=O)=O)NC(=O)C(=O)NCc1ccc(N(C)C)cc1 1325390827 FEXZTLFCYPZDGQ-LLVKDONJSA-N 341.433 -0.082 10 20 EBCD COc1cccc(CNC(=O)CN2CCS(=O)(=O)CC2)c1O 729859859 YCBWXBHRLOQFNM-UHFFFAOYSA-N 328.390 -0.253 10 20 EBCD COc1cc(C(=O)NC2CN(C(=O)[C@@H]3CCN(C)C3)C2)cc(OC)n1 996380210 ZFGADWOMLNDTAK-LLVKDONJSA-N 348.403 -0.009 10 20 EBCD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CC3(O)CNC3)cc2)C1 1580089879 YBSAIBYTKHGYGY-AWEZNQCLSA-N 346.431 -0.271 10 20 EBCD CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O 1332066236 KCUIWSXXQBTVGV-NSHDSACASA-N 333.344 -0.386 10 20 EBCD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@H](NC(N)=O)C1 1342463471 XYSKRXGHALSSJB-ZDUSSCGKSA-N 347.419 -0.054 10 20 EBCD Cn1cc(/C=C2\SC(N3CCOCC3)=NC2=O)c(=O)n(C)c1=O 884402957 NNCHGSUKYIBLBD-YFHOEESVSA-N 336.373 -0.614 10 20 EBCD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CN1CCNCC1=O 237220763 LARHTMLOAWTTHD-UHFFFAOYSA-N 346.431 -0.087 10 20 EBCD CN1C(=O)C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1=O 848047838 VCTBJMVENBSKOZ-SECBINFHSA-N 341.345 -0.749 10 20 EBCD Nc1ccc(CCNC(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 1325711727 GCBYMVSFOLTJKW-CYBMUJFWSA-N 330.388 -0.193 10 20 EBCD Cn1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c(=O)n(C)c1=O 728697258 LQVGGRLYQRVBJR-XYOKQWHBSA-N 326.312 -0.455 10 20 EBCD NC(=O)N[C@@H](CO)C(=O)NCc1cccc(Br)c1O 765730405 UVAAVBDZBKZVFQ-QMMMGPOBSA-N 332.154 -0.200 10 20 EBCD COc1ccc(N2CCN(C(=O)C(=O)NCCN)CC2)c(OC)c1 884672965 IRFVMKUJGFSTNL-UHFFFAOYSA-N 336.392 -0.573 10 20 EBCD COc1ccc(O)c(CNC(=O)CN2CCS(=O)(=O)CC2)c1 734016094 JTJAAFHQNMETBF-UHFFFAOYSA-N 328.390 -0.253 10 20 EBCD C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CN(C(=O)C(N)=O)C1 1006282834 CSOJIBWXUBVVLU-QMMMGPOBSA-N 346.347 -0.089 10 20 EBCD Nc1ccc(CC(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1 830704443 XPTSKUOUKGYQKC-UHFFFAOYSA-N 326.422 -0.756 10 20 EBCD COc1ccc(-n2nnnc2CN2CC[C@H](NC(C)=O)[C@@H](O)C2)cc1 1089976127 NFLVJFWOLNLROM-GJZGRUSLSA-N 346.391 -0.258 10 20 EBCD CCOC(=O)c1cnn2c(O)cc(CN3C[C@H](O)C[C@H]3CO)nc12 270698916 ZVGGARXLYPYXER-WDEREUQCSA-N 336.348 -0.461 10 20 EBCD CCOC(=O)c1cnn2c(O)cc(CN3CCOC[C@H]3CO)nc12 769904020 QURMDVIHDUCBEX-LLVKDONJSA-N 336.348 -0.195 10 20 EBCD C[C@H](OC(=O)c1cccc(O)c1O)C(=O)N[C@@H]1CCS(=O)(=O)C1 784796773 CWMFZHXJIICHJG-DTWKUNHWSA-N 343.357 -0.054 10 20 EBCD NC(=O)N=Nc1ccc(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)C(N)=O)cc1 947916682 BJUHQVYNIBSRJR-MIMYLULJSA-N 344.331 -0.337 10 20 EBCD COc1ccc(-n2nnnc2CNCCNC(=O)c2ncc[nH]2)cc1 1126805760 ABVXJWUPNCIKIT-UHFFFAOYSA-N 342.363 -0.086 10 20 EBCD Cn1cc(S(=O)(=O)NCC(=O)NCCc2ccc(N)cc2)cn1 237802037 XLCVNNHLTSEDNV-UHFFFAOYSA-N 337.405 -0.361 10 20 EBCD COc1ccc(N2CCN(CCNC(=O)Cn3cnnn3)CC2)cc1 299521683 YWQIJEZCUVJGHB-UHFFFAOYSA-N 345.407 -0.380 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2COCCN2)cc1F 861750532 SDCHQZBFWAXYDL-LBPRGKRZSA-N 338.383 -0.388 10 20 EBCD CN(Cc1ccccc1O)C(=O)C(=O)NCc1cc(C(N)=O)no1 1322865785 CHPOMFMHEKMODR-UHFFFAOYSA-N 332.316 -0.246 10 20 EBCD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccc(N)cc1 1350323334 RELMZCTZVQRUFW-QWRGUYRKSA-N 327.362 -0.865 10 20 EBCD COCC[C@@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 281177166 CACFNQINZPTKOP-JTQLQIEISA-N 332.378 -0.109 10 20 EBCD CCNc1nc(NCC)n2c(SCC(=O)NCCO)nnc2n1 298747518 IDQNZJFIOIZIMG-UHFFFAOYSA-N 340.413 -0.417 10 20 EBCD CCNCCNC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 851688297 WIZMIWHHZAWVFK-UHFFFAOYSA-N 348.447 -0.010 10 20 EBCD CN1CC(C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)C1 1843251313 SNUIXQIHTCNGIR-UHFFFAOYSA-N 346.387 -0.129 10 20 EBCD CN1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1=O 263820481 UOSLUWJIEQHECE-SECBINFHSA-N 327.362 -0.276 10 20 EBCD Cn1c(=O)c2c(ncn2CC(=O)c2ccc(O)c(O)c2)n(C)c1=O 16056295 BWFVYRJYROXSRU-UHFFFAOYSA-N 330.300 -0.272 10 20 EBCD COc1ccc(CNC(=O)CN(C)S(=O)(=O)N(C)C)c(O)c1 846061748 SFTZLSJUEHVCPB-UHFFFAOYSA-N 331.394 -0.245 10 20 EBCD COc1ccc(N2CCN(C(=O)c3cn(CC(N)=O)nn3)CC2)cc1 742472246 ZFONQDQWHGTAOO-UHFFFAOYSA-N 344.375 -0.266 10 20 EBCD COc1ccc(CNC(=O)Cn2cc(S(N)(=O)=O)cn2)c(O)c1 796350343 KXFKZRUTQRGRBC-UHFFFAOYSA-N 340.361 -0.439 10 20 EBCD C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@@H](CO)O1 787474365 CFWJLPLAKDLZFV-ONGXEEELSA-N 344.389 -0.015 10 20 EBCD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N3)cc2)C1 822937704 LDECSWGLCQZBFA-JSGCOSHPSA-N 330.388 -0.107 10 20 EBCD O=S1(=O)CCN(c2ccc(CN[C@H]3CNCCOC3)cc2)CC1 925489031 WURQBIORFVAMMZ-HNNXBMFYSA-N 339.461 -0.001 10 20 EBCD CN(CCS(C)(=O)=O)C(=O)C(=O)NCc1ccc(N(C)C)cc1 283459900 KZXIBTRNCHKKNM-UHFFFAOYSA-N 341.433 -0.128 10 20 EBCD CN(C)c1ccc([C@H](N)CNC(=O)CCNS(C)(=O)=O)cc1 832280217 NYOFXEBTTJVQEL-CYBMUJFWSA-N 328.438 -0.192 10 20 EBCD CS(=O)(=O)C1(C(=O)NCc2cc(O)ccc2O)CCNCC1 1579331028 WRQMANGWJZYWQG-UHFFFAOYSA-N 328.390 -0.119 10 20 EBCD CN(CCS(N)(=O)=O)CC(=O)NCc1ccc(N(C)C)cc1 880084511 RDEBHCUANIRJPQ-UHFFFAOYSA-N 328.438 -0.411 10 20 EBCD NC(=O)CN1CCOC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 1051262537 BGIGNGFGXCFQKL-LBPRGKRZSA-N 348.363 -0.235 10 20 EBCD COc1ccc(N2CCN(C[C@@H](O)Cn3ncn(C)c3=O)CC2)cc1 840772574 WBLAZHJUEWZYEH-OAHLLOKOSA-N 347.419 -0.227 10 20 EBCD CN(C)c1ccc([C@@H](N)CNC(=O)CN2CCCS2(=O)=O)cc1 832281979 WUPLDFZVCMWMDZ-AWEZNQCLSA-N 340.449 -0.096 10 20 EBCD COc1cc(C(=O)NC2CN(CCn3cncn3)C2)cc(OC)n1 1030613334 AJSUDKUGAGHNPT-UHFFFAOYSA-N 332.364 -0.196 10 20 EBCD COc1ccc(-n2nnnc2CNCCCNC(=O)CC(N)=O)cc1 1156017707 DSOBUAQGQFJWQV-UHFFFAOYSA-N 347.379 -0.858 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1 1325392296 MWLXTEQJXGQLEC-UONOGXRCSA-N 348.403 -0.482 10 20 EBCD CN(C)c1ccc([C@@H](N)CNS(=O)(=O)N2CCOCC2)cc1 842785668 JUUHJXMRHMTCIG-AWEZNQCLSA-N 328.438 -0.081 10 20 EBCD NCCOCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1327864407 KVLNTJLUKWDVDE-UHFFFAOYSA-N 341.433 -0.487 10 20 EBCD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCCc1ccc(N)cc1 851663285 XVAWMJWNUJKXJF-STQMWFEESA-N 327.406 -0.078 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC2(CO)COC2)c1 1323317888 BFRXFSRDXKNXMH-UHFFFAOYSA-N 330.362 -0.498 10 20 EBCD CC(=O)C(=O)CN1C(=O)N[C@](C)(c2ccc(-c3nn[nH]n3)cc2)C1=O 1588782924 ZXXVIUHUKHSILA-OAHLLOKOSA-N 342.315 -0.208 10 20 EBCD COc1cc(C(=O)N[C@H]2CCN(C(=O)c3cnn[nH]3)C2)cc(OC)n1 938311079 NGZOTKREAJZENJ-JTQLQIEISA-N 346.347 -0.139 10 20 EBCD O=C(O)[C@@H]1CS(=O)(=O)CCN1Cc1cc2c(cc1O)OCO2 1606057996 XXDNEHZULHDPTM-VIFPVBQESA-N 329.330 -0.196 10 20 EBCD C[C@@H](CN)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1842867438 GCTPGUDMSLUKAS-JTQLQIEISA-N 334.376 -0.095 10 20 EBCD C[C@@H](NC(=O)c1cc(O)cs1)C(=O)N1CCS(=O)(=O)CC1 732285839 MVXMNLKNJZBHAO-MRVPVSSYSA-N 332.403 -0.171 10 20 EBCD CN1CC[C@@](O)(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 762715210 ASOLLIHOUFWJCR-CQSZACIVSA-N 343.405 -0.440 10 20 EBCD COc1ccc(CNC[C@H](O)CNC(=O)c2nnn(C)n2)cc1C 1753923592 LRGIDIQDEQOOTA-LBPRGKRZSA-N 334.380 -0.592 10 20 EBCD C[C@@H](O)[C@H](N)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 1579419590 BAWVRAZGEBLHNE-ZLDLUXBVSA-N 334.420 -0.287 10 20 EBCD O=C(O)[C@H]1CS(=O)(=O)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 1594959649 ADNHKGLBOCWLPT-XCRNYIDWSA-N 341.341 -0.179 10 20 EBCD CN(C)c1ccc([C@H](CNC(=O)C(=O)N2CCNCC2)N(C)C)cc1 911581044 ZDFPGGCVWIMRSH-INIZCTEOSA-N 347.463 -0.097 10 20 EBCD COc1cc(C(=O)N[C@H]2C[C@H](N[C@@H]3CCNC3=O)C2)cc(OC)n1 1020352236 DRLZAJUZFCTTIX-IJLUTSLNSA-N 334.376 -0.162 10 20 EBCD CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCS(=O)(=O)C1 1334823666 ZXUSKFKWWLIUFQ-NSHDSACASA-N 326.374 -0.346 10 20 EBCD O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)CCNC(=O)CO 1608746800 MTRKDNSQLFOXNO-UHFFFAOYSA-N 344.751 -0.043 10 20 EBCD C[C@H]1CNCCN1C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 842190184 BPJCAMXLDXVDBI-AWEZNQCLSA-N 346.431 -0.040 10 20 EBCD CN(C)c1ccc([C@H](N)CNC(=O)CCn2cc[nH]c(=O)c2=O)cc1 843298360 MOHHEAPZMGCNKG-CQSZACIVSA-N 345.403 -0.191 10 20 EBCD COc1ccc(O)c(CNC(=O)NCCNS(=O)(=O)N(C)C)c1 854107898 OAVWNLXWKZBUAD-UHFFFAOYSA-N 346.409 -0.404 10 20 EBCD NC(=O)CN1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](O)C1 1090839613 PMJPCEQWVVCHIQ-RYUDHWBXSA-N 348.363 -0.501 10 20 EBCD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1ccc(=O)n(C)c1=O 273193351 QECOWHKFPBCAGM-JTQLQIEISA-N 333.344 -0.294 10 20 EBCD CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CN(C(=O)C(N)=O)C1 954574216 PEFGOJUBXWONSZ-UHFFFAOYSA-N 332.320 -0.383 10 20 EBCD COc1cc(C(=O)N[C@@H]2CCN([C@H]3CCNC3=O)C2)cc(OC)n1 1015102771 KVHGKQKHBRIQRU-NEPJUHHUSA-N 334.376 -0.209 10 20 EBCD COc1ccc(N2CCN(CCNC(=O)[C@@H]3COCCN3)CC2)cc1 269288985 JWLDQQYTBXORCD-KRWDZBQOSA-N 348.447 -0.078 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCn2ncnn2)c1 754477041 SLXNQMIJDNNECT-UHFFFAOYSA-N 326.338 -0.820 10 20 EBCD CNS(=O)(=O)CCN1C(=O)CN(Cc2ccccc2O)C1=O 819169119 YIFLQEVWHOSXNK-UHFFFAOYSA-N 327.362 -0.294 10 20 EBCD COc1ccc(-n2nnnc2CN2CC[C@@H](NC(C)=O)[C@H](O)C2)cc1 1089976128 NFLVJFWOLNLROM-HUUCEWRRSA-N 346.391 -0.258 10 20 EBCD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CS(C)(=O)=O 1116645517 JDZBMIHRAYXXGG-JTQLQIEISA-N 345.373 -0.267 10 20 EBCD CONC(=O)CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 1262228280 ZQHILSZLPCPHHS-UHFFFAOYSA-N 334.376 -0.303 10 20 EBCD CCS(=O)(=O)NCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 832280180 NTUISKDXRREPQO-CYBMUJFWSA-N 328.438 -0.192 10 20 EBCD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCCc1ccc(N)cc1 851663284 XVAWMJWNUJKXJF-QWHCGFSZSA-N 327.406 -0.078 10 20 EBCD COc1ccc(CNCCNC(=O)[C@H]2CCS(=O)(=O)N2)cc1C 1151306329 FXXMUOMFQPJLCB-CYBMUJFWSA-N 341.433 -0.099 10 20 EBCD Cn1ncc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 785897225 MAQDNTBBCAKHPJ-UHFFFAOYSA-N 349.416 -0.020 10 20 EBCD C[C@@H](CN)NC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 884705310 OZOZVICOYDXGRH-ZDUSSCGKSA-N 333.436 -0.482 10 20 EBCD O=S1(=O)C[C@H](NCc2ccccc2O)[C@@H](N2CCOCC2)C1 265216771 FVNSPSSXQUJZOB-KBPBESRZSA-N 326.418 -0.020 10 20 EBCD CCOC(=O)c1cnn2c(O)cc(CN3CC(=O)N[C@H](C)C3)nc12 296097997 GEBFBPWDGOGHMT-SECBINFHSA-N 333.348 -0.068 10 20 EBCD CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)NC(=O)N1 854987651 IJPRFFFXEABEKC-NSHDSACASA-N 349.343 -0.118 10 20 EBCD Cn1cc(/C=C2/SC(N3CCOCC3)=NC2=O)c(=O)n(C)c1=O 884402956 NNCHGSUKYIBLBD-JXMROGBWSA-N 336.373 -0.614 10 20 EBCD COc1cc(C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)C2)cc(OC)n1 941653720 HQIWVCKLEAZPDX-SNVBAGLBSA-N 336.348 -0.695 10 20 EBCD COc1ccc(N2CCN(C(=O)CN3C[C@H](O)[C@@H](O)C3)CC2)cc1 278936428 XSZZKERHHWUFNF-HOTGVXAUSA-N 335.404 -0.619 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)O[C@H]2CCC(=O)NC2=O)c1 798603862 IOBGVJLBCFYWLZ-JTQLQIEISA-N 342.329 -0.274 10 20 EBCD NS(=O)(=O)CCNC(=O)NCc1ccc(N2CCOCC2)cc1 299117336 SRTIIVPYDMMMJT-UHFFFAOYSA-N 342.421 -0.389 10 20 EBCD Nc1ccc(CC(=O)NCCS(=O)(=O)N2CCOCC2)cc1 827985585 QGELJMAVGLRNKF-UHFFFAOYSA-N 327.406 -0.411 10 20 EBCD C[C@H](N)CCNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 1333624433 FJWCQEIADHAZBJ-ZDUSSCGKSA-N 334.420 -0.007 10 20 EBCD CCNCCCNC(=O)C(=O)C(=O)C(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2 1327838886 IMRNXZZLAKYGLL-MELADBBJSA-N 349.431 -0.041 10 20 EBCD COCC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)O 1599216101 JCZWZTLDNRVFHT-SNVBAGLBSA-N 346.361 -0.017 10 20 EBCD CN(C)c1ccc([C@@H](N)CNS(=O)(=O)N(C)CCC(=O)O)cc1 1610104932 GOICMEKLDVIIIQ-ZDUSSCGKSA-N 344.437 -0.007 10 20 EBCD CN1CCN(c2ccc(CNC(=O)N3C[C@@H](CO)[C@@H](O)C3)cc2)CC1 889663292 OADGSOUJKWPCBQ-RDJZCZTQSA-N 348.447 -0.067 10 20 EBCD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCN1CCNC1=O 897791299 IYFUPBMDUKCRQV-UHFFFAOYSA-N 347.419 -0.181 10 20 EBCD O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cc(O)cs1 732281340 ZSXLFRPYMBPUHY-QWRGUYRKSA-N 346.430 -0.319 10 20 EBCD C[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C[C@@H](CO)O1 785440367 YYNQSJCLSOWEQB-WFASDCNBSA-N 335.404 -0.023 10 20 EBCD CN1CCN(c2ccc(CNC(=O)C(=O)N(C)CCO)cc2)CC1 898325062 XOPVGPNAGGKRFE-UHFFFAOYSA-N 334.420 -0.495 10 20 EBCD C[C@@H](NC(=O)C(=O)NCCN1CCNCC1)c1ccc(N(C)C)cc1 842202825 LXZMBIZFTTWTKP-CQSZACIVSA-N 347.463 -0.049 10 20 EBCD CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 1323887085 ZXIFXOTUECTGLU-AAEUAGOBSA-N 335.360 -0.500 10 20 EBCD CN1C(=O)C(=O)N(CC(=O)OCC(=O)c2ccc(O)c(O)c2)C1=O 783668619 QRVBILMBPXZNFK-UHFFFAOYSA-N 336.256 -0.756 10 20 EBCD CN1CCN(c2ccc(CNC(=O)N[C@@H]3COC[C@H]3O)cc2)CC1 889662749 INCRPDWFECCYRS-HZPDHXFCSA-N 334.420 -0.003 10 20 EBCD Cn1c(=O)c2c(ncn2CC(=O)NCc2ccccc2O)n(C)c1=O 299559902 MYNSYAFAQKRTNX-UHFFFAOYSA-N 343.343 -0.544 10 20 EBCD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(O)c(O)c1 778916397 GYYBNCFXPXWFIA-LBPRGKRZSA-N 335.360 -0.159 10 20 EBCD CNCCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 911281659 IBQRJPSCHNAPHM-HNNXBMFYSA-N 335.452 -0.193 10 20 EBCD COc1cc(C(=O)N[C@H]2C[C@@H](NCc3nc(O)n[nH]3)C2)cc(OC)n1 1022368681 XENPYXONXUEHDI-AOOOYVTPSA-N 348.363 -0.027 10 20 EBCD Nc1ccc(CC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1261490578 YHPOJHSQCDJOMR-ZDUSSCGKSA-N 339.417 -0.379 10 20 EBCD O=C(/C=C/c1ccc(O)c(O)c1)NCC(=O)NCCN1CCOCC1 779483768 IQSJPUCQCDPKBZ-DUXPYHPUSA-N 349.387 -0.324 10 20 EBCD O=C(Cn1cnnn1)NCCC1=CCN(c2cnc(F)cn2)CC1 1089801082 XRPPBGMNRFVIFI-UHFFFAOYSA-N 332.343 -0.055 10 20 EBCD C[C@H](NC[C@]1(CO)COCCN1C)c1cccc(-c2nn[nH]n2)c1O 1603658370 STOYGHGBFVMRGH-ZBEGNZNMSA-N 348.407 -0.084 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@]2(C(=O)O)CCOC2)c1 833737862 LMSBKZDCDCOJJU-CYBMUJFWSA-N 344.345 -0.263 10 20 EBCD CN1CCCc2cc(CNC(=O)C(=O)N3CCO[C@H](CN)C3)ccc21 842149552 AACJEYSDQONHAZ-OAHLLOKOSA-N 346.431 -0.129 10 20 EBCD C[C@@H](N)CN(C)C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 885210306 PVSOMEFMVIMWFK-CQSZACIVSA-N 347.463 -0.140 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)NCCNS(C)(=O)=O)cc1 1321592215 BQRJJHVWKMSIPG-UHFFFAOYSA-N 342.421 -0.966 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)N2CC(O)(C(=O)O)C2)cc1F 1598317909 NUFQJKLBSWAOLH-UHFFFAOYSA-N 339.323 -0.834 10 20 EBCD COC(=O)c1cn(CC(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)nn1 843297031 FAHCYKJSIBOULW-CYBMUJFWSA-N 346.391 -0.053 10 20 EBCD COc1ccc(N(CC(=O)O)CC(=O)NC[C@H]2CNC(=O)C2)cc1 853011424 WQDYBQBFCJVEOO-LLVKDONJSA-N 335.360 -0.162 10 20 EBCD COc1cc(C(=O)NC2CN(C(=O)C3(C(N)=O)CC3)C2)cc(OC)n1 996367920 IAOGBPASHCWVGZ-UHFFFAOYSA-N 348.359 -0.695 10 20 EBCD COc1ccc(CNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)c(O)c1 846950279 MNUBBRGMDKDKKH-NSHDSACASA-N 343.405 -0.068 10 20 EBCD CONC(=O)CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 1119799076 RERFQKTTXVYPID-UHFFFAOYSA-N 326.328 -0.698 10 20 EBCD COc1cc(C(=O)NC2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)cc(OC)n1 996367515 DIGGMEBBLAEHRR-JYAVWHMHSA-N 347.371 -0.068 10 20 EBCD COCC(=O)N1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)CC1 1348135963 LFWVPFLXQLOGDD-UHFFFAOYSA-N 349.387 -0.332 10 20 EBCD CN(CC(=O)N1CCNC(=O)C1)Cc1ccc(N2CCOCC2)cc1 11193307 QKDWIESPDBEFFI-UHFFFAOYSA-N 346.431 -0.087 10 20 EBCD O=C1CN(C(=O)C(=O)NCCCSc2nccs2)CCN1 806276013 DDDXWMQKRDHNSF-UHFFFAOYSA-N 328.419 -0.300 10 20 EBCD COc1cc(C(=O)NC2CN([C@@H]3CCCNC3=O)C2)cc(OC)n1 1030611973 CDWBCFQZZBBIAI-GFCCVEGCSA-N 334.376 -0.209 10 20 EBCD O=C(NCc1ccc(N2CCOCC2)cc1)N1CC(O)(C(=O)O)C1 1601539728 AYPDTYYCOIHQCZ-UHFFFAOYSA-N 335.360 -0.136 10 20 EBCD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccc(N)cc1 1350323335 RELMZCTZVQRUFW-WDEREUQCSA-N 327.362 -0.865 10 20 EBCD COc1cc(O)c(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1OC 271756134 CUYZMCLWHDROGR-LLVKDONJSA-N 335.360 -0.448 10 20 EBCD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN1C(=O)C(=O)N(C)C1=O 274931599 NPMFEMYJLSVRNN-MRVPVSSYSA-N 335.316 -0.434 10 20 EBCD COc1ccc(N2CCCN(C(=O)[C@@H](CO)NC(N)=O)CC2)cc1 371370200 TZRCTYSISUPZCF-CQSZACIVSA-N 336.392 -0.237 10 20 EBCD C[C@@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)S(C)(=O)=O 1327486176 PFHJSMZIVTZINR-JTQLQIEISA-N 327.406 -0.523 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCC(=O)NC2)c1 264269840 WKXJZUFRZBTHGZ-VIFPVBQESA-N 327.362 -0.228 10 20 EBCD C[C@H](N)CN(C)C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 861761511 JXEPIXNITMCWRM-ZDUSSCGKSA-N 334.420 -0.055 10 20 EBCD COc1ccc(-n2nnnc2CNCCNC(=O)CNC(C)=O)cc1 1122675394 PMMNMUOBILXEJS-UHFFFAOYSA-N 347.379 -0.987 10 20 EBCD O=C(O)[C@@H]1CS(=O)(=O)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 1594959650 ADNHKGLBOCWLPT-YWNRKNDBSA-N 341.341 -0.179 10 20 EBCD NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843251019 NXDAASWSFOWEGD-UHFFFAOYSA-N 348.359 -0.425 10 20 EBCD Cn1cc(S(=O)(=O)NCCc2ccc(N)cc2)c(=O)n(C)c1=O 194413981 FSLVWTYOIPWNDI-UHFFFAOYSA-N 338.389 -0.813 10 20 EBCD O=C(CN1CCCS1(=O)=O)OCC(=O)c1ccc(O)c(O)c1 783025037 MHNRSCJBZYSNRT-UHFFFAOYSA-N 329.330 -0.141 10 20 EBCD CN(Cc1ccc(N(C)C)cc1)C(=O)CN[C@]1(C(N)=O)CCOC1 847051750 IFYAZDFMRUDZMM-QGZVFWFLSA-N 334.420 -0.055 10 20 EBCD CN1C(=O)C(=CNc2ccc(S(N)(=O)=O)cc2)C(=O)N(C)C1=O 59168873 MXUBOEKOQXAVCO-UHFFFAOYSA-N 338.345 -0.320 10 20 EBCD CNCCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 911281660 IBQRJPSCHNAPHM-OAHLLOKOSA-N 335.452 -0.193 10 20 EBCD CN1CCN(c2ccc(CNC(=O)CN3C(=O)CNC3=O)cc2)CC1 1330804570 CFIPMHOFMLICTR-UHFFFAOYSA-N 345.403 -0.394 10 20 EBCD COc1ccc(O)c(CNC(=O)NCCOCCS(N)(=O)=O)c1 854136620 HZUGVMUTOIKFPC-UHFFFAOYSA-N 347.393 -0.495 10 20 EBCD CN(C)c1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CCNC2)N(C)C)cc1 911272695 FAJQBJGBVOTFFJ-ZBFHGGJFSA-N 347.463 -0.050 10 20 EBCD CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CNCCO3)cc2)CC1 832173633 STUCBRQXPXKGLQ-QGZVFWFLSA-N 346.431 -0.040 10 20 EBCD CN1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCOC3)cc2)CC1 897664774 PHQAWHVGWYITIB-HNNXBMFYSA-N 346.431 -0.040 10 20 EBCD Nc1ccc(CC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 237889123 QQKDRWAFCLOGHP-UHFFFAOYSA-N 330.388 -0.239 10 20 EBCD COc1ccc(N2CCN(C[C@@H](O)CNC(CO)CO)CC2)cc1 843060363 VKSLHMQWTBRLOB-INIZCTEOSA-N 339.436 -0.879 10 20 EBCD C[C@@H](CN)NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 911298739 VVPNNYLYQSABIP-SWLSCSKDSA-N 335.452 -0.065 10 20 EBCD CC[C@H](CNC(=O)C(N)=O)NCc1nnnn1-c1ccc(OC)cc1 1753485452 XZSSHMJHRQGHFT-SNVBAGLBSA-N 347.379 -0.859 10 20 EBCD COC(=O)N1CC(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 269310794 BPFWZOVNQQHTKC-UHFFFAOYSA-N 343.361 -0.056 10 20 EBCD CN(C)c1ccc([C@@H](N)CNC(=O)Cn2ccc(=O)n(C)c2=O)cc1 832299512 BWTNCWQMKGGRNQ-AWEZNQCLSA-N 345.403 -0.571 10 20 EBCD C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@H](CO)O1 787474364 CFWJLPLAKDLZFV-MWLCHTKSSA-N 344.389 -0.015 10 20 EBCD O=C1NC[C@H](C(=O)NCCC2=CCN(c3nccnc3F)CC2)N1 1089860892 OKUCITKICZDJLS-LLVKDONJSA-N 334.355 -0.060 10 20 EBCD COC[C@H](CCO)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 270429997 VUCDAGMHYVCJDB-JTQLQIEISA-N 332.378 -0.109 10 20 EBCD CC(=O)C(=O)COC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 808493972 RYJUFDODIJABNP-UHFFFAOYSA-N 334.240 -0.108 10 20 EBCD C[C@H](N)CCNC(=O)C(=O)C(=O)C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2 1119353173 VBOXEFKEARSSKO-CYDGBPFRSA-N 335.404 -0.303 10 20 EBCD O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC(CO)CO 266707376 HLHYTMBBTGUFIH-UHFFFAOYSA-N 327.356 -0.185 10 20 EBCD CN1CCN(c2ccc(CNC(=O)[C@@H]3OCCN(C)C3=O)cc2)CC1 918839210 RDTQEXOAGNOCEX-INIZCTEOSA-N 346.431 -0.088 10 20 EBCD NC(=O)N=Nc1ccc(C(=O)N2C[C@H]3[C@H](NC(=O)C(N)=O)[C@H]3C2)cc1 977090543 VDBFNNOSGDQOBW-URLYPYJESA-N 344.331 -0.479 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2(C(N)=O)CCC2)c1 770087498 LMGSYGGOZNEHEQ-UHFFFAOYSA-N 327.362 -0.099 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)NCCS(C)(=O)=O)cc1 283541809 QCQSEVXQNFPYLX-UHFFFAOYSA-N 327.406 -0.470 10 20 EBCD CCS(=O)(=O)NCCS(=O)(=O)NCCc1ccc(N)cc1 262812759 YMBQIBFSXPCURU-UHFFFAOYSA-N 335.451 -0.330 10 20 EBCD COc1ccc(-n2nnnc2CN2C[C@@H](O)[C@H](NC(C)=O)C2)cc1 1076657048 UMLMMPDAWRSQTR-ZIAGYGMSSA-N 332.364 -0.648 10 20 EBCD CN1CC[C@@H](NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)C1=O 1117165065 RXDGWMMMTYTXIZ-GFCCVEGCSA-N 336.367 -0.145 10 20 EBCD CN(CCNS(C)(=O)=O)CC(=O)NCc1ccc(N(C)C)cc1 1319328973 UVBVFUFYILZNTJ-UHFFFAOYSA-N 342.465 -0.150 10 20 EBCD NC[C@H]1CN(C(=O)C(=O)NCCCSc2nccs2)CCO1 842092352 LCTBDTXYNXJXSJ-JTQLQIEISA-N 344.462 -0.072 10 20 EBCD COc1ccc(N(C)CCN(C)C(=O)C(=O)NCCCON)cc1 1262551886 JIYIGCUHAJEUSM-UHFFFAOYSA-N 338.408 -0.014 10 20 EBCD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCN(C(=O)CO)CC1 89422872 INTXOBHPISWKKO-UHFFFAOYSA-N 348.447 -0.153 10 20 EBCD COCCN1C(=O)/C(=C/NNc2ccc(F)cn2)C(=O)NC1=S 731371840 OXIWNFQABRXOLD-VQHVLOKHSA-N 339.352 -0.089 10 20 EBCD NC(=O)N=Nc1ccc(C(=O)NCC2CC(NC(=O)C(N)=O)C2)cc1 992199568 NGNOKKXBYAZENA-UHFFFAOYSA-N 346.347 -0.041 10 20 EBCD O=C1NC[C@@H](C(=O)NCCC2=CCN(c3cc(F)ncn3)CC2)N1 1089860377 CNQLYQCHLAZMCV-NSHDSACASA-N 334.355 -0.060 10 20 EBCD COC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CCO1 1325391066 HTAHOPJHLNUKIL-AWEZNQCLSA-N 349.387 -0.231 10 20 EBCD COc1ccc(N2CCN(CCCNC(=O)[C@H](N)CO)CC2)cc1 1121925979 HQHHWOSRJHHHCM-MRXNPFEDSA-N 336.436 -0.357 10 20 EBCD CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 1323887087 ZXIFXOTUECTGLU-WCQYABFASA-N 335.360 -0.500 10 20 EBCD COC[C@H](N)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 827468683 CHPLRUQDDXLJMC-HIFRSBDPSA-N 334.420 -0.022 10 20 EBCD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3=NNC(=O)C3)cc2)C1 732275463 XJPSCPFIWCQIET-LBPRGKRZSA-N 343.387 -0.120 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)N2CCCO[C@@H](CN)C2)cc1 842036765 XDNDWLWFJMLYOC-HNNXBMFYSA-N 334.420 -0.055 10 20 EBCD CC(=O)N[C@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)C(N)=O 347738646 VFGLFCKBXISCJE-GFCCVEGCSA-N 334.376 -0.142 10 20 EBCD CC(=O)N1CCN(c2ccc(CNC(=O)Cn3cnnn3)cc2)CC1 786257834 URDUWAOODFTUCL-UHFFFAOYSA-N 343.391 -0.342 10 20 EBCD COCc1nc(OC)cc(N2CC=C(CCNC(=O)C(N)=O)CC2)n1 1089862596 XJQDWPLODBDLBE-UHFFFAOYSA-N 349.391 -0.240 10 20 EBCD COc1ccc(CNCCNC(=O)CN2CCN(C)C(=O)C2)cc1C 1130554141 XPPGVEJATOQLCH-UHFFFAOYSA-N 348.447 -0.017 10 20 EBCD COc1ccc(-n2nnnc2CNCCNC(=O)CCN(C)C)cc1 1133297371 LYNVYWZXCJQNMF-UHFFFAOYSA-N 347.423 -0.172 10 20 EBCD CN1CCN(c2ccc(CNC(=O)NCc3nnn(C)n3)cc2)CC1 1333605388 DJEWUIOLVZWZDM-UHFFFAOYSA-N 344.423 -0.039 10 20 EBCD COc1ccc(O)c([C@H](C)NC(=O)CN2C(=O)C(=O)N(C)C2=O)c1 761980986 DQSHIZBGHWRSCL-QMMMGPOBSA-N 335.316 -0.001 10 20 EBCD COc1cc(C(=O)NC2CN(C(=O)c3cnn(C)n3)C2)cc(OC)n1 996369136 RLJANEGGOZFKLZ-UHFFFAOYSA-N 346.347 -0.518 10 20 EBCD O=C(NCc1ccc(N2CCOCC2)cc1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 816898065 SGZRAVPVCCZXFQ-BRWVUGGUSA-N 348.399 -0.448 10 20 EBCD Cc1nn(CC(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c(=O)n1C 848393884 KPXMLHNVLCJZKP-CQSZACIVSA-N 332.408 -0.228 10 20 EBCD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cc(O)cs1 1328492545 SZCRHTLIOVAWTO-QMMMGPOBSA-N 332.403 -0.171 10 20 EBCD COc1cccc(CNC(=O)C2CCN(S(N)(=O)=O)CC2)c1O 269190013 NXPHEDLRRIMBSE-UHFFFAOYSA-N 343.405 -0.068 10 20 EBCD O=C(NCc1ccc(N2CCC(O)CC2)cc1)C(=O)N1CCNCC1 851691325 GYAJEUMEVLBVLR-UHFFFAOYSA-N 346.431 -0.304 10 20 EBCD CN(CC(C)(CO)CO)C(=O)c1cc(NS(C)(=O)=O)ccc1O 272758164 PQHMDSSLOQCNQU-UHFFFAOYSA-N 346.405 -0.173 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)N2CCO[C@H](C(=O)O)C2)cc1 817109676 IVGKTDSVDRXNOC-ZDUSSCGKSA-N 335.360 -0.319 10 20 EBCD Cn1cnc2c1c(=O)n(CC(=O)NCc1ccccc1O)c(=O)n2C 299596696 UVMJASMJUOIFQF-UHFFFAOYSA-N 343.343 -0.544 10 20 EBCD C[C@H]1C(=O)NCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 271355317 XUXFGBOVCIYBIJ-QMMMGPOBSA-N 327.362 -0.276 10 20 EBCD CCN(C)C(=O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O 274825972 IAVCSPSDWJUERF-UHFFFAOYSA-N 329.378 -0.028 10 20 EBCD COC(=O)[C@@H]1CN(C(=O)C(=O)NCCc2ccc(N)cc2)C[C@H](C)O1 1326549861 MILOBVDUYLNGAB-FZMZJTMJSA-N 349.387 -0.284 10 20 EBCD C[C@H](N)CCNC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1331204155 GUPIERQFROOYQG-AWEZNQCLSA-N 347.463 -0.092 10 20 EBCD 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CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H]2C(N)=O)c1 862896438 TZDFBBBKAFRXDQ-JTQLQIEISA-N 327.362 -0.146 10 20 EBCD COc1ccc(-n2nnnc2CNCCNC(=O)c2cnon2)cc1 1135562609 LYEXPJHGEQRZEI-UHFFFAOYSA-N 344.335 -0.427 10 20 EBCD CN1CCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](CN)C1 817989453 LWUPYFMXADIZTJ-MRXNPFEDSA-N 347.463 -0.188 10 20 EBCD CCONC(=O)CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 1326984292 RFVYJNHSNMEQHJ-UHFFFAOYSA-N 346.387 -0.137 10 20 EBCD COc1cc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2C[C@@H]2C)cc(OC)n1 1756541761 CEXDBWHNEXJRBI-WCQGTBRESA-N 337.376 -0.038 10 20 EBCD COc1ccc(N2CCN(C(=O)CN3C[C@H](O)C[C@H]3CO)CC2)cc1 270670098 RADVHLUYVZRFRH-JKSUJKDBSA-N 349.431 -0.229 10 20 EBCD Cn1cnc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 810172568 KNARWGJPFYGNDB-UHFFFAOYSA-N 349.416 -0.020 10 20 EBCD CNCCNC(=O)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 1326182049 CYQNLFOFJRKFJX-UHFFFAOYSA-N 338.383 -0.182 10 20 EBCD CCOC(=O)CN(Cc1ccccc1O)C(=O)CS(=O)(=O)NC 819696425 TYFLAKUJWONBBA-UHFFFAOYSA-N 344.389 -0.167 10 20 EBCD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1C[C@H]2C(=O)NC(=O)[C@H]2C1 831728684 IGWMOKSWLSKFGA-GASCZTMLSA-N 344.415 -0.085 10 20 EBCD CC(C)[C@H](N)CNC(=O)C(=O)C(=O)C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2 1325745417 YKVIFEYQBUTADS-XDQVBPFNSA-N 349.431 -0.057 10 20 EBCD CNCCN(C)C(=O)C(=O)C(=O)C(=O)N1CC[C@H](c2cccnc2)C1 1327004365 UYEGMZVLSYMDAU-ZDUSSCGKSA-N 346.387 -0.787 10 20 EBCD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCO[C@@H](C(N)=O)C1 51102301 AJJACGCMQFUYSP-OAHLLOKOSA-N 334.420 -0.103 10 20 EBCD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1nnn(C)n1 1322940610 MYEXIOAKUBCOIY-UHFFFAOYSA-N 331.380 -0.449 10 20 EBCD COc1cc(C(=O)N[C@@H]2CCN(Cc3nnnn3C)C2)cc(OC)n1 1015108039 NMJYKADLBJWTTL-LLVKDONJSA-N 347.379 -0.373 10 20 EBCD COc1ccc(N2CCN(C[C@H](O)Cn3ncn(C)c3=O)CC2)cc1 840772572 WBLAZHJUEWZYEH-HNNXBMFYSA-N 347.419 -0.227 10 20 EBCD NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cccc(O)c1O 854839218 FKNNMDNBGBUYJI-VIFPVBQESA-N 329.378 -0.114 10 20 EBCD COc1cc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)cc(OC)n1 1013960271 UMPLEHQYGUQFLJ-SCZZXKLOSA-N 336.348 -0.697 10 20 EBCD COc1ccc(N2CCN(C[C@H](O)CN(C)CC(N)=O)CC2)cc1 754012518 ZGZWKYUPWARBAX-OAHLLOKOSA-N 336.436 -0.405 10 20 EBCD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCc1nnn(C)n1 1322939157 CIXUHEXNADMOEP-UHFFFAOYSA-N 331.380 -0.483 10 20 EBCD COc1ccc(N2CCN(C(=O)CN3C[C@@H](O)[C@H](CO)C3)CC2)cc1 839170989 WVLWEHYUIWXMDW-WMLDXEAASA-N 349.431 -0.371 10 20 EBCD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3(O)CNC3)cc2)C1 852860955 MQJVGEUPLUMBKI-CYBMUJFWSA-N 332.404 -0.661 10 20 EBCD CNCCCNC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 884675612 IWIFXZYOJWNWCY-UHFFFAOYSA-N 347.463 -0.220 10 20 EBCD COc1cc(C(=O)NC2CC(N(C)C(=O)C(N)=O)C2)cc(OC)n1 1016949401 OHCWXFKUYLXLEN-UHFFFAOYSA-N 336.348 -0.697 10 20 EBCD C[C@@H](NC(=O)C(=O)NC1CNC1)c1ccc(N2CCOCC2)cc1 842123553 PANUDFCNKZKMNA-GFCCVEGCSA-N 332.404 -0.212 10 20 EBCD CNC[C@@H](C)CNC(=O)C(=O)C(=O)C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2 1329023513 JVWYYBNHZOTDHQ-RFGFWPKPSA-N 349.431 -0.185 10 20 EBCD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NCc1ccc(O)c(O)c1 272346982 PXEYZZXRXJRIBS-GBOPCIDUSA-N 346.339 -0.124 10 20 EBCD CN(C)c1ccc([C@@H](N)CNC(=O)CNC(=O)[C@H]2CCCN2)cc1 832273231 MDJVLJIYUCRFPF-LSDHHAIUSA-N 333.436 -0.263 10 20 EBCD C[C@H]1CO[C@@H](CO)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 770022253 BUKNIGOMGFKMMQ-GXSJLCMTSA-N 344.389 -0.015 10 20 EBCD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCN(C)C(=O)C1 846734993 WIGSEWWSIGXUIX-UHFFFAOYSA-N 332.404 -0.022 10 20 EBCD CN(CCO)C(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 934318451 VTWXUNCNHBAWAL-OAHLLOKOSA-N 336.436 -0.078 10 20 EBCD NCCOCC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 827469216 QIFSVNCFDDULQA-CQSZACIVSA-N 334.420 -0.020 10 20 EBCD NC(=O)[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CCO1 51712063 BZRRQGZMUXSBFW-OAHLLOKOSA-N 348.403 -0.081 10 20 EBCD CN(CC(=O)NCCc1ccc(O)c(O)c1)[C@@H]1CCS(=O)(=O)C1 762267919 VTRNCSMAKPKPSI-GFCCVEGCSA-N 342.417 -0.125 10 20 EBCD COc1cc(C(=O)N[C@@H](CO)CNC(=O)c2ncc[nH]2)cc(OC)n1 1756517725 NBGWGSLHNKPHEM-SNVBAGLBSA-N 349.347 -0.657 10 20 EBCD C[C@@H](N)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CCO1 842035793 IZHMEUJBYLYGTB-DOMZBBRYSA-N 334.420 -0.057 10 20 EBCD NC(=O)N=Nc1ccc(C(=O)NCC2CN(C(=O)C(N)=O)C2)cc1 1002690026 PPIXJLWLSVUSFD-UHFFFAOYSA-N 332.320 -0.478 10 20 EBCD O=C(NC[C@H]1C[C@H]2C=C[C@H]1CC2)C(=O)C(=O)C(=O)N[C@H]1CCCNC1 1118118605 IUFUMIXKZWJAQB-FQUUOJAGSA-N 347.415 -0.289 10 20 EBCD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCN(CC(N)=O)CC1 46054608 OYWRXAAJCHRBPM-UHFFFAOYSA-N 347.463 -0.186 10 20 EBCD NC(=O)CN1CCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])CC1=O 1608234918 PSMFPEDMNNOSNQ-RQOWECAXSA-N 348.315 -0.174 10 20 EBCD C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC(=O)N1 857526540 XRXFHADLVXAXCD-QMMMGPOBSA-N 327.362 -0.276 10 20 EBCD N[C@H]1C[C@H](CNC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C1 1119416443 DWYNSLWQAZQPOJ-SHTZXODSSA-N 346.431 -0.007 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2CN(C(=O)O)C2)c1 829692292 ZXJZBCPHZJDSLC-UHFFFAOYSA-N 329.334 -0.144 10 20 EBCD C[C@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 966773280 JGTDRUIHVMXIOM-GZMMTYOYSA-N 346.347 -0.089 10 20 EBCD CCS(=O)(=O)CCNC(=O)C(=O)N(C)Cc1ccccc1O 1341817283 YKLRFDCGRPRLNN-UHFFFAOYSA-N 328.390 -0.099 10 20 EBCD NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)C2)cc1 938148780 OMIMJMFFHLFTRF-JTQLQIEISA-N 332.320 -0.335 10 20 EBCD C[C@@H](NC[C@@]1(CO)COCCN1C)c1cccc(-c2nn[nH]n2)c1O 1603658367 STOYGHGBFVMRGH-BDJLRTHQSA-N 348.407 -0.084 10 20 EBCD CS(=O)(=O)N1CCN(CC(=O)NCc2ccc(O)c(O)c2)CC1 272289657 GXWUSUYLXSVZAG-UHFFFAOYSA-N 343.405 -0.709 10 20 EBCD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Cn3cnnn3)cc2)C1 917832387 WVSKHYRALZMXGM-ZDUSSCGKSA-N 343.391 -0.309 10 20 EBCD NC(=O)N=Nc1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)C(N)=O)C3)cc1 947374778 BPBXYFQZTPJYHC-JMJZKYOTSA-N 344.331 -0.337 10 20 EBCD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3nonc3N)nc12 744870934 NAUQJNLQWOPDME-UHFFFAOYSA-N 348.275 -0.066 10 20 EBCD CN1CC(C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)C1 1846714996 PRGDIRCHFRPZGD-UHFFFAOYSA-N 346.387 -0.129 10 20 EBCD CCOC(=O)c1cnn2c(O)cc(CN3CCN(CCO)CC3)nc12 298718858 KKPFBIQFDBWFEM-UHFFFAOYSA-N 349.391 -0.279 10 20 EBCD COc1cc(C(=O)NC2CN([C@H]3CCCNC3=O)C2)cc(OC)n1 1030611974 CDWBCFQZZBBIAI-LBPRGKRZSA-N 334.376 -0.209 10 20 EBCD CN1CCN(CC(=O)NCc2ccc(N3CCOCC3)cc2)CC1=O 763250048 YBPZDRLKBQYTHX-UHFFFAOYSA-N 346.431 -0.087 10 20 EBCD Cn1cc(S(=O)(=O)NCc2ccccc2O)c(=O)n(C)c1=O 319325549 QXPMGAMNXRZEJI-UHFFFAOYSA-N 325.346 -0.732 10 20 EBCD COc1cc(C(=O)NC2CN(Cc3cnnn3C)C2)cc(OC)n1 1030612006 FGCAULZCQIMLSM-UHFFFAOYSA-N 332.364 -0.159 10 20 EBCD O=C(NCCS(=O)(=O)N1CCOCC1)c1cccc(O)c1O 790609807 PMJQMCNVHMYCGM-UHFFFAOYSA-N 330.362 -0.510 10 20 EBCD C[C@H](N)CNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 911280772 LJDNBOVANQPDPS-SWLSCSKDSA-N 335.452 -0.065 10 20 EBCD Cn1cc(S(=O)(=O)NCCOC(=O)c2cccc(O)c2O)cn1 758548733 SWWRUCNUHORYEJ-UHFFFAOYSA-N 341.345 -0.033 10 20 EBCD N[C@@H](CNC(=O)C(=O)C(=O)C(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2)C1CC1 1261423005 LQRBDNQOBIEYGT-VTPLQMEGSA-N 347.415 -0.303 10 20 EBCD CN1CCN(c2ccc(CNC(=O)C(=O)N(C)CCCN)cc2)CC1 885210398 RPVKFKUGVGKHSL-UHFFFAOYSA-N 347.463 -0.138 10 20 EBCD COCCN1CCN(C(=O)C(=O)NCCc2ccc(N)cc2)CC1=O 1345199366 XLWQTADGTLQLGW-UHFFFAOYSA-N 348.403 -0.755 10 20 EBCD NC[C@H](N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796601260 LAIHEJSBERFCOV-USZNOCQGSA-N 349.391 -0.969 10 20 EBCD O=C(CNC(CO)CO)NCc1ccc(N2CCOCC2)c(F)c1 846934666 HHDRTPAVBVJQPL-UHFFFAOYSA-N 341.383 -0.779 10 20 EBCD COc1ccc(N2CCN(S(=O)(=O)N3CCNCC3)CC2)cc1 320082559 WFEXYEWXMNFBLA-UHFFFAOYSA-N 340.449 -0.033 10 20 EBCD CC(=O)N1CCN(c2ccc(CNC(=O)COCCN)cc2)CC1 832173626 SPEHATNBNGHODJ-UHFFFAOYSA-N 334.420 -0.053 10 20 EBCD CN(C)c1ccc(CNC(=O)CN2CCNC(=O)CC23CNC3)cc1 903774595 QHFSMWOHONQDSQ-UHFFFAOYSA-N 345.447 -0.467 10 20 EBCD COc1ccc(CNCCn2cnc(-c3nn[nH]n3)n2)c(O)c1OC 1591599769 RHRYLBKKSGTPCS-UHFFFAOYSA-N 346.351 -0.029 10 20 EBCD COc1ccc(N2CCN(C(=O)CN3C[C@@H](O)[C@@H](CO)C3)CC2)cc1 839170987 WVLWEHYUIWXMDW-RHSMWYFYSA-N 349.431 -0.371 10 20 EBCD COc1cc(C(=O)NC2CN(Cc3nnn(C)n3)C2)cc(OC)n1 1030612598 VNINDFWLNUPQPB-UHFFFAOYSA-N 333.352 -0.764 10 20 EBCD CN(C)c1ccc([C@@H](CNC(=O)C(=O)N[C@@H]2CCNC2)N(C)C)cc1 911272692 FAJQBJGBVOTFFJ-GDBMZVCRSA-N 347.463 -0.050 10 20 EBCD COc1ccc(N(CC(=O)O)CC(=O)NCc2nnn(C)n2)cc1 853007745 DAUFCMVNTMNAMK-UHFFFAOYSA-N 334.336 -0.574 10 20 EBCD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cccc(O)c1O 1321160381 YIGGHQADPAEFGR-VIFPVBQESA-N 342.373 -0.527 10 20 EBCD CNS(=O)(=O)Nc1ccc(NS(=O)(=O)CCC(=O)O)cc1 1598673416 MFKUJOZQDFGDMM-UHFFFAOYSA-N 337.379 -0.221 10 20 EBCD O=C(O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1cccc(O)c1O 1602199262 IPKJIWAYMGZIRA-CBAPKCEASA-N 349.299 -0.683 10 20 EBCD CN(C)c1ccc([C@H](N)CNS(=O)(=O)N2CCNCC2)cc1 923632582 BBKROPRKLVYMGR-CQSZACIVSA-N 327.454 -0.508 10 20 EBCD C[C@@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)C(N)=O 1077060283 XVWVFEHTOFFSJH-QMMMGPOBSA-N 334.336 -0.041 10 20 EBCD CCOC(=O)[C@@H](N)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1262044766 VROSPNYUZCIZMC-HNNXBMFYSA-N 334.420 -0.055 10 20 EBCD CON(C)C(=O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O 857542541 NITDDVAQAVJCIR-UHFFFAOYSA-N 331.350 -0.487 10 20 EBCD C[C@@H](C(N)=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1084104480 VKXXBMZQUIVEPZ-AXTRIDKLSA-N 348.363 -0.502 10 20 EBCD C[C@H](NS(C)(=O)=O)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 832282296 YNQJPNRXXKXLMO-GWCFXTLKSA-N 328.438 -0.194 10 20 EBCD CNC[C@H](C)CNC(=O)C(=O)C(=O)C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2 1329023515 JVWYYBNHZOTDHQ-XUXIUFHCSA-N 349.431 -0.185 10 20 EBCD COc1cc(C(=O)NC2CN(C(=O)[C@H]3CCC(=O)N3)C2)cc(OC)n1 996368868 PSWSQORYUBKXOL-LLVKDONJSA-N 348.359 -0.682 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)NCCN2C(=O)CCC2=O)cc1 1326628799 UGJCDMDVEPCVAF-UHFFFAOYSA-N 346.387 -0.366 10 20 EBCD O=C(O)[C@@H]1CS(=O)(=O)CCN1C(=O)/C=C\c1ccc(O)c(O)c1 1594959647 ADNHKGLBOCWLPT-GQPNGRKGSA-N 341.341 -0.179 10 20 EBCD COC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)O 1606814020 YNYUHMPOSDSGJO-VIFPVBQESA-N 332.334 -0.407 10 20 EBCD CN(C)c1ccc2c(c1)OCCN2C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 611647920 ASBJQLKSCJJAHT-IIAWOOMASA-N 334.372 -0.109 10 20 EBCD CN(CCOCCN)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 861750565 STVJKFMHVXZVAX-UHFFFAOYSA-N 340.399 -0.058 10 20 EBCD CC(=O)C(=O)COC(=O)CN1C(=O)c2ccccc2S1(=O)=O 808491027 KCJYMFCGMYWKHW-UHFFFAOYSA-N 325.298 -0.468 10 20 EBCD CNC[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 851691823 MLJYPLHECRDJDX-CYBMUJFWSA-N 348.447 -0.012 10 20 EBCD CON(C)C(=O)[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 863707459 ZGMLFSJALPHEIU-MRVPVSSYSA-N 345.377 -0.098 10 20 EBCD COc1cc(C(=O)N[C@@H]2CCN(Cc3nnn(C)n3)C2)cc(OC)n1 1015105368 VMBBANAMUIQQSM-LLVKDONJSA-N 347.379 -0.373 10 20 EBCD CC(=O)C(=O)CN1C(=O)N[C@@](C)(c2ccc(-n3cnnn3)cc2)C1=O 808021182 CONZICUSKIQEAY-HNNXBMFYSA-N 342.315 -0.413 10 20 EBCD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H]1COCCN1 861801971 CAQCAZZIWCBINN-CQSZACIVSA-N 334.420 -0.184 10 20 EBCD C[C@H](CN)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1842867439 GCTPGUDMSLUKAS-SNVBAGLBSA-N 334.376 -0.095 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@]2(CO)CCOC2)c1 273603110 SJFJRAVQOPQFHV-CYBMUJFWSA-N 330.362 -0.355 10 20 EBCD CN(C)C(=O)Cn1nc2n(c1=O)CCN(Cc1cc(F)ccc1O)C2 276075190 ALVXUIHEXSATRB-UHFFFAOYSA-N 349.366 -0.007 10 20 EBCD COc1ccc(N2CCN(C[C@H](O)Cn3c(=O)ncn3C)CC2)cc1 840773789 GBCQACCLOXYZDX-HNNXBMFYSA-N 347.419 -0.227 10 20 EBCD COc1c([N+](=O)[O-])ccc(CN2CCN(C(=O)CO)CC2)c1O 793594797 ROUCZYPOZFUUCS-UHFFFAOYSA-N 325.321 -0.055 10 20 EBCD CCN(CC)c1ccc(CNC(=O)C(=O)N(CCN)CCO)cc1 842208898 YALNIMLTSDKJLC-UHFFFAOYSA-N 336.436 -0.071 10 20 EBCD COc1cc(C(=O)N[C@@H]2CCN(Cc3nc(O)n[nH]3)C2)cc(OC)n1 1015100594 CCFUGDZTHPDIDO-SNVBAGLBSA-N 348.363 -0.073 10 20 EBCD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N1CCOCC1 283090362 GRAVKPGTTUWPKW-UHFFFAOYSA-N 333.388 -0.002 10 20 EBCD O=C(COC(=O)CO)NCc1ccc(N2CCOCC2)c(F)c1 909116021 JZHQRBMRWPOCOT-UHFFFAOYSA-N 326.324 -0.186 10 20 EBCD CN1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 929468078 IUMZWNWFCSWUOH-MRXNPFEDSA-N 346.431 -0.040 10 20 EBCD CCONC(=O)CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C 1327528215 WVPSXCFVMVITJE-UHFFFAOYSA-N 336.392 -0.139 10 20 EBCD Cn1c(NCc2cc(O)ccc2O)c(-c2nn[nH]n2)c(=O)n(C)c1=O 1592555050 BIACKFMYWJUTML-UHFFFAOYSA-N 345.319 -0.713 10 20 EBCD CNC(=O)C1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 274421432 YISHDBBSCVBTJE-UHFFFAOYSA-N 327.362 -0.418 10 20 EBCD O=C1CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CCN1 284144458 SCFCVQMUIYUZED-UHFFFAOYSA-N 346.387 -0.902 10 20 EBCD COCCCS(=O)(=O)NCC(=O)NCCc1ccc(N)cc1 832659176 QRUJRMZAAONAKE-UHFFFAOYSA-N 329.422 -0.117 10 20 EBCD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1cnnn1 1254761367 MQILZTGMQSRTNU-JTQLQIEISA-N 335.320 -0.625 10 20 EBCD CC(=O)c1cc(F)cc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)c1O 269057423 ZMEHGGYUYWBRSH-LBPRGKRZSA-N 335.335 -0.124 10 20 EBCD CN(CCOCCO)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 285759052 QXOMXFQRAIRHOF-UHFFFAOYSA-N 341.383 -0.025 10 20 EBCD O=C(NCCNS(=O)(=O)Cc1ccon1)c1cccc(O)c1O 790867673 ARGJLGPZULUIQV-UHFFFAOYSA-N 341.345 -0.065 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)NCCn2cncn2)cc1F 1345501383 WRDFSLBAAAYHRC-UHFFFAOYSA-N 334.355 -0.084 10 20 EBCD COc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cnn[nH]3)C2)cc(OC)n1 974298179 QAIWIYZGNHYFTN-AOOOYVTPSA-N 346.347 -0.092 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C[C@H](O)C[C@H]2CO)c1 1320700664 MWZOZWRXTKZUMC-VHSXEESVSA-N 330.362 -0.669 10 20 EBCD CN1C(=O)CN(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1=O 1337414884 SYZAGHBOZUCNKX-UHFFFAOYSA-N 342.333 -0.698 10 20 EBCD CCOC(=O)CN(Cc1ccccc1O)C(=O)CN1C(=O)CNC1=O 1348980833 YQRJIBBDTSPNLS-UHFFFAOYSA-N 349.343 -0.164 10 20 EBCD CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 1334823664 ZXUSKFKWWLIUFQ-LLVKDONJSA-N 326.374 -0.346 10 20 EBCD C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C[C@@H](CO)O1 785440362 YYNQSJCLSOWEQB-DOMZBBRYSA-N 335.404 -0.023 10 20 EBCD NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCN(C(=O)C(N)=O)C2)cc1 983207051 KEVJFTQHMSRMQM-SECBINFHSA-N 346.347 -0.087 10 20 EBCD COc1ccc(-n2nnnc2CN2C[C@H](O)[C@@H](N(C)C(C)=O)C2)cc1 1047271725 PJYWPGFXGDLBSX-GJZGRUSLSA-N 346.391 -0.306 10 20 EBCD CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1 1326589732 DZMMWBVISCIJKU-NSHDSACASA-N 326.378 -0.643 10 20 EBCD CN1CCN(c2ccc(CN3C[C@@H](C(N)=O)[C@@H](C(N)=O)C3)cc2)CC1 895314821 RHWUAQXJARXHGO-IYBDPMFKSA-N 345.447 -0.543 10 20 EBCD CC(=O)C(=O)COC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C 808518475 CNTSRSHPYOINIQ-UHFFFAOYSA-N 344.301 -0.134 10 20 EBCD C[C@H](N)CN(C)C(=O)C(=O)C(=O)C(=O)N1CC[C@@H](c2cccnc2)C1 1331781471 YMUKYQNBTUNTGS-WCQYABFASA-N 346.387 -0.659 10 20 EBCD COC(=O)[C@](C)(O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O 763280687 SSKLGXRUMYJXDT-CYBMUJFWSA-N 346.361 -0.583 10 20 EBCD CN1CCCc2cc(CNC(=O)C(=O)N3C[C@@H](O)[C@@H](CO)C3)ccc21 817812019 UGZZPPOPSPPENZ-GDBMZVCRSA-N 347.415 -0.503 10 20 EBCD COc1ccc(N2CCN(C[C@H](O)Cn3cc(CO)nn3)CC2)cc1 881420550 YQWGGLZYYWLBNO-INIZCTEOSA-N 347.419 -0.038 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)NCCN2C(=O)CNC2=O)cc1 1344852484 SIMIPDRSSKOAHG-UHFFFAOYSA-N 347.375 -0.963 10 20 EBCD O=C(O)CCNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 1595055575 BBKRMWNWQDBNRY-UHFFFAOYSA-N 335.360 -0.270 10 20 EBCD CN(C)C(=O)Cn1cc(C(=O)NCCc2ccc(O)c(O)c2)nn1 768900332 FVRHGURNRMJGLU-UHFFFAOYSA-N 333.348 -0.250 10 20 EBCD COc1ccc(N(CC(=O)O)CC(=O)N[C@H]2CCN(C)C2=O)cc1 853005028 DSVNQWVHFDQWLU-ZDUSSCGKSA-N 335.360 -0.067 10 20 EBCD CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H]1CCNC1=O 1320507650 SCRRRVGMLBPAKS-SNVBAGLBSA-N 327.362 -0.276 10 20 EBCD CN1CCCc2cc(CNC(=O)c3[nH]c(=O)[nH]c(=O)c3N)ccc21 73132611 GOKGGLSIMIEEOG-UHFFFAOYSA-N 329.360 -0.042 10 20 EBCD CCN(CC)c1ccc(CNC(=O)C(=O)NCc2nnn(C)n2)cc1 1117044905 AMZUQCLTBFNODU-UHFFFAOYSA-N 345.407 -0.011 10 20 EBCD O=C(c1nc[nH]n1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249817 CYRSCUNUOLBWJO-UHFFFAOYSA-N 344.331 -0.258 10 20 EBCD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H](N)CC(=O)O)cc2)C1 1608230353 GFISQJNIESSNOB-OCCSQVGLSA-N 348.403 -0.194 10 20 EBCD CCOC(=O)CN(CC(=O)N1CCNC(=O)C1)Cc1ccccc1O 823581862 RZFVAUGYFSYWGL-UHFFFAOYSA-N 349.387 -0.284 10 20 EBCD COC[C@H](N)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 829505386 MIPBURPTDUHKJY-INIZCTEOSA-N 336.436 -0.093 10 20 EBCD CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCS(=O)(=O)N2)cc1 846663361 GVHQUDSDJUGCSR-CHWSQXEVSA-N 326.422 -0.440 10 20 EBCD NC(=O)[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CCO1 51712062 BZRRQGZMUXSBFW-HNNXBMFYSA-N 348.403 -0.081 10 20 EBCD CN1C(=O)C(=O)N(CC(=O)NCc2ccc(N(C)C)c(F)c2)C1=O 264949681 BHSITCSCVBVMJG-UHFFFAOYSA-N 336.323 -0.072 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(CCO)CC2)c1 919811536 YFIYNAZNNKEAMG-UHFFFAOYSA-N 343.405 -0.486 10 20 EBCD COc1ccc(CNCCNC(=O)C[C@@H]2NC(=O)NC2=O)cc1C 1129749244 BQCDFPCNCHLYET-LBPRGKRZSA-N 334.376 -0.192 10 20 EBCD C[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C[C@H](CO)O1 785440365 YYNQSJCLSOWEQB-SWLSCSKDSA-N 335.404 -0.023 10 20 EBCD COc1ccc(N2CCN(C(=O)/C=C\C(=O)NOCCO)CC2)cc1 787295965 SLBYUWGQDOORHT-SREVYHEPSA-N 349.387 -0.060 10 20 EBCD CN(C)c1ccc([C@@H](N)CNS(=O)(=O)CCS(C)(=O)=O)cc1 842784860 MOIPJBJNFUZHKJ-ZDUSSCGKSA-N 349.478 -0.284 10 20 EBCD CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1078253693 NJGFXWFTYRXVDM-VXGBXAGGSA-N 348.363 -0.630 10 20 EBCD NC[C@@H](NC(=O)C(=O)C(=O)C(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2)C1CC1 1327839373 LPFZECDEAJODAL-CDGCEXEKSA-N 347.415 -0.303 10 20 EBCD CNC(=O)CC(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1841561040 KDCVCEZXVYPQKO-UHFFFAOYSA-N 348.359 -0.554 10 20 EBCD COCCN1C(=O)/C(=C\N[C@H](C(=O)OC)C(C)C)C(=O)NC1=S 60864253 NUADEANZOXLJFK-RNKPRXRFSA-N 343.405 -0.453 10 20 EBCD COc1ccc(CNC(=O)C2CCN(S(N)(=O)=O)CC2)c(O)c1 794389298 KNFCOTCEERAKPQ-UHFFFAOYSA-N 343.405 -0.068 10 20 EBCD CN(C)C(=O)CN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O 919809232 JSWZAABDZFNSER-UHFFFAOYSA-N 329.378 -0.076 10 20 EBCD C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1NC(=O)C(N)=O 939691466 JCRYDEOBUPSSSP-LDYMZIIASA-N 346.347 -0.089 10 20 EBCD NC(=O)C(=O)NCCC1=CCN(c2ncccc2-c2nn[nH]n2)CC1 1592712742 HQCFCDZXUGEBLJ-UHFFFAOYSA-N 342.363 -0.610 10 20 EBCD COc1cc(C(=O)N[C@H]2C[C@H](N[C@H]3CCNC3=O)C2)cc(OC)n1 1020352237 DRLZAJUZFCTTIX-SRVKXCTJSA-N 334.376 -0.162 10 20 EBCD NC(=O)[C@@H]1CCCN(c2ccc(CN3C(=O)N[C@@H](CO)C3=O)cc2)C1 1119626800 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BSXOPEKDEXILMM-DUXPYHPUSA-N 340.401 -0.042 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)NCc2ncn(C)n2)cc1F 1321935120 NDPMZWSYGJDZBL-UHFFFAOYSA-N 334.355 -0.047 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)N2CCOC[C@@H]2CCO)cc1 1262223293 OVWQKHBWNPSSBN-HNNXBMFYSA-N 335.404 -0.021 10 20 EBCD COC(=O)COc1ccc(N(C)CC(=O)N2CCNC(=O)C2)cc1 273033374 CLGQFINAJJVDPT-UHFFFAOYSA-N 335.360 -0.367 10 20 EBCD COc1ccc(N(C)CCN(C)C(=O)C(=O)N=c2nc[nH]n2C)cc1 846098771 PCQAGYUSAXLGNG-UHFFFAOYSA-N 346.391 -0.221 10 20 EBCD NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCN(C(=O)C(N)=O)C2)cc1 983207058 KEVJFTQHMSRMQM-VIFPVBQESA-N 346.347 -0.087 10 20 EBCD O=C1NC[C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCN2C1=O 91866308 QHIJPVQUYANGHO-INIZCTEOSA-N 344.415 -0.334 10 20 EBCD COc1ccc(N2CCN(C(=O)Cn3nnn(C)c3=O)CC2)cc1 882227662 PYGYPGONKLRWRX-UHFFFAOYSA-N 332.364 -0.666 10 20 EBCD COc1cc(C(=O)NC2CN(CC(=O)NC3CC3)C2)cc(OC)n1 1030612375 MTJLLHBCPUQUSI-UHFFFAOYSA-N 334.376 -0.209 10 20 EBCD COc1cccc(CNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)c1O 830541173 UCAFFZCPUGRIGE-NSHDSACASA-N 343.405 -0.068 10 20 EBCD COc1ccc(N2CCN(C(=O)CN3C[C@H](O)[C@@H](CO)C3)CC2)cc1 839170979 WVLWEHYUIWXMDW-PBHICJAKSA-N 349.431 -0.371 10 20 EBCD Cn1nnc2c(N3CC=C(CCNC(=O)CC(N)=O)CC3)ncnc21 1089822306 ZSYSMLJNOOEOAM-UHFFFAOYSA-N 344.379 -0.724 10 20 EBCD COC(=O)[C@@H](O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O 763258089 TYBLSLOWHNOJOH-JTQLQIEISA-N 332.334 -0.973 10 20 EBCD O=C(NCCC1=CCN(c2ccc3nnnn3n2)CC1)c1cnn[nH]1 1089870553 BGAVMUUOTMXUNF-UHFFFAOYSA-N 340.351 -0.406 10 20 EBCD CNS(=O)(=O)c1ccc(C(=O)NC2=S=C(C(=O)O)C=C2)o1 1606304665 QTFZNIBGFCAKCM-UHFFFAOYSA-N 330.343 -0.393 10 20 EBCD C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 958341251 JGTDRUIHVMXIOM-LDYMZIIASA-N 346.347 -0.089 10 20 EBCD CCN1C[C@@H](CNC(=O)C(=O)NCCc2ccc(N)cc2)CC1=O 846345463 XIVYNBZKRZPXAU-CYBMUJFWSA-N 332.404 -0.088 10 20 EBCD Nc1ccc(CCNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)cc1 852797003 ZHQBZOOOYWBECC-GFCCVEGCSA-N 326.422 -0.157 10 20 EBCD CNCCN(C)C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 851692034 PZGFHBKSPAASRY-UHFFFAOYSA-N 348.447 -0.058 10 20 EBCD CN1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCNC3)cc2)CC1 884678525 DTXQPEDDDGAOGO-HNNXBMFYSA-N 345.447 -0.467 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)N2CCO[C@H](CN)C2)cc1F 842149032 SWHAQBZGOGCEPL-GFCCVEGCSA-N 338.383 -0.306 10 20 EBCD C[C@@H]1[C@H](NC(=O)C(=O)NCCc2ccc(N)cc2)CCS1(=O)=O 1261822303 WQVXHALLENBNGD-ZWNOBZJWSA-N 339.417 -0.381 10 20 EBCD COc1ccc(N(CC(=O)O)CC(=O)NC[C@@H]2CNC(=O)C2)cc1 853011425 WQDYBQBFCJVEOO-NSHDSACASA-N 335.360 -0.162 10 20 EBCD NC(=O)N=Nc1ccc(C(=O)N2CCN(C(=O)C(N)=O)CC2)cc1 1011291285 TTWBLLPDEABHDU-UHFFFAOYSA-N 332.320 -0.381 10 20 EBCD COc1ccc(N2CCN(C(=O)Cn3c(=O)ncn3C)CC2)cc1 278799237 XLZQREXFINYTES-UHFFFAOYSA-N 331.376 -0.061 10 20 EBCD CNS(=O)(=O)c1cc(NS(=O)(=O)c2cnc[nH]2)ccc1O 790407710 ONFPXJHWEWSTDL-UHFFFAOYSA-N 332.363 -0.176 10 20 EBCD C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CN(C(=O)C(N)=O)C1 1006282828 CSOJIBWXUBVVLU-MRVPVSSYSA-N 346.347 -0.089 10 20 EBCD Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)c(O)c1O 1607728567 OYHAHISGIUVKHM-VIFPVBQESA-N 329.330 -0.270 10 20 EBCD C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H](C(N)=O)O1 122103384 HSCMWZMOZFCFMX-IUODEOHRSA-N 334.420 -0.057 10 20 EBCD NC(=O)N=Nc1ccc(C(=O)NC2[C@H]3CN(C(=O)C(N)=O)C[C@H]23)cc1 1013288847 FHAHHCYBIPLZMC-UWVGGRQHSA-N 344.331 -0.479 10 20 EBCD COc1ccc(-n2nnnc2CNCCNC(=O)c2nc[nH]n2)cc1 1135520576 MGYVIUIEYHYIGE-UHFFFAOYSA-N 343.351 -0.691 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCN2CCOCC2)c1 299103953 VKBJUBSQLDKHMN-UHFFFAOYSA-N 343.405 -0.174 10 20 EBCD CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1nnn(C)n1 1322941622 RLVHLAPQCMFNBO-UHFFFAOYSA-N 332.364 -0.029 10 20 EBCD CN(C)c1ccc([C@@H](CNC(=O)CN2CCNCC2=O)N(C)C)cc1 1523581222 PCBIZRBUVPCLKP-MRXNPFEDSA-N 347.463 -0.097 10 20 EBCD Cn1[nH]c(COC(=O)c2cc(NS(C)(=O)=O)ccc2O)nc1=O 765457071 DYKXBFPTIHVLEJ-UHFFFAOYSA-N 342.333 -0.458 10 20 EBCD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CC3(O)CNC3)cc2)C1 1580089880 YBSAIBYTKHGYGY-CQSZACIVSA-N 346.431 -0.271 10 20 EBCD COc1ccc(N2CCN(CCNC(=O)[C@@H](N)CC(N)=O)CC2)cc1 269746847 YIRDSZFTJBAGIX-HNNXBMFYSA-N 349.435 -0.864 10 20 EBCD Cc1nn(CC(=O)NC[C@H](N)c2ccc(N(C)C)cc2)c(=O)n1C 848393883 KPXMLHNVLCJZKP-AWEZNQCLSA-N 332.408 -0.228 10 20 EBCD C[C@@H](N)CNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 911280770 LJDNBOVANQPDPS-IUODEOHRSA-N 335.452 -0.065 10 20 EBCD COc1cc(C(=O)NC2CN(C(=O)c3ncn(C)n3)C2)cc(OC)n1 996368826 NYUFJAUQZDZBCO-UHFFFAOYSA-N 346.347 -0.518 10 20 EBCD COc1cc(C(=O)NC2CN(Cc3cnn(C)n3)C2)cc(OC)n1 1030612656 XRUIMJCSKYWHFI-UHFFFAOYSA-N 332.364 -0.159 10 20 EBCD COC(=O)[C@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 273482506 LKLHLZAXYNURCB-VIFPVBQESA-N 332.334 -0.973 10 20 EBCD CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@@H](CO)[C@@H](O)C2)cc1 817705319 DFGCLXWNBQVJNF-HOCLYGCPSA-N 349.431 -0.039 10 20 EBCD CN(C)c1ccc(CNC(=O)CN2CCN3C(=O)NC(=O)[C@H]3C2)cc1 749025471 NOBBXPWTHZLDPQ-CQSZACIVSA-N 345.403 -0.395 10 20 EBCD CN(C)C(=O)CN1CCN(C(=O)CN(C)c2ccc(N)cc2)CC1 863558456 JKEDGBBRGQXZAN-UHFFFAOYSA-N 333.436 -0.063 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)NCCN2CCNC2=O)cc1 897361548 LFQPQYGQGFCTTM-UHFFFAOYSA-N 333.392 -0.490 10 20 EBCD O=C(NCCO)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 738915505 XLGYLPIPQWZIOS-UHFFFAOYSA-N 327.406 -0.287 10 20 EBCD NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)cc1 958732737 QBKSYGPKZGZSMB-WCQYABFASA-N 335.364 -0.136 10 20 EBCD Cn1nnc(CN2CC(NC(=O)c3ccc(N=NC(N)=O)cc3)C2)n1 1031464321 NYJOOEPCFCWXCV-UHFFFAOYSA-N 343.351 -0.013 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCS(=O)CC2)c1 1322590391 QGXZQPVFJJSTFH-UHFFFAOYSA-N 332.403 -0.032 10 20 EBCD COc1cc(O)c(CNCCn2cnc(-c3nn[nH]n3)n2)cc1OC 1591547482 BNHVKTZRILVOBQ-UHFFFAOYSA-N 346.351 -0.029 10 20 EBCD CN(C)c1ccc([C@H](N)CNS(=O)(=O)CCS(C)(=O)=O)cc1 842784853 MOIPJBJNFUZHKJ-CYBMUJFWSA-N 349.478 -0.284 10 20 EBCD O=C(NC[C@H]1C[C@H]2C=C[C@H]1CC2)C(=O)C(=O)C(=O)N[C@H]1CCNC1 1327523391 JLLNGCBKOSFONP-RVMXOQNASA-N 333.388 -0.679 10 20 EBCD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CNC(=O)NC 1324120742 JTAOFOQLJJMEEZ-JTQLQIEISA-N 339.348 -0.383 10 20 EBCD C[C@H](CN)N(C)C(=O)C(=O)C(=O)C(=O)N1CC[C@@H](c2cccnc2)C1 1328400723 KUWJLIWPQQPGPJ-DGCLKSJQSA-N 346.387 -0.659 10 20 EBCD COc1ccc(N2CCN(C[C@@H](O)CN[C@@H](C)C(N)=O)CC2)cc1 1335367997 OJINXQZNYJMJKG-ZFWWWQNUSA-N 336.436 -0.359 10 20 EBCD COc1ccc(N2CCN(C[C@H](O)CN[C@H]3CNC(=O)C3)CC2)cc1 1335969669 IUCNDOOZXBFRPQ-GDBMZVCRSA-N 348.447 -0.344 10 20 EBCD CCOC(=O)c1cnn2c(O)cc(CN3CC(=O)N[C@@H](C)C3)nc12 296098002 GEBFBPWDGOGHMT-VIFPVBQESA-N 333.348 -0.068 10 20 EBCD Cn1ccc(=O)n(CCCNC(=O)c2c(F)ccc(O)c2O)c1=O 819942917 MOTDIMJCWAPNPH-UHFFFAOYSA-N 337.307 -0.083 10 20 EBCD COc1ccc(CNC[C@H](O)CNC(=O)Cn2ncnn2)cc1C 1753911202 MLJNIUPWCBMCER-ZDUSSCGKSA-N 334.380 -0.743 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCn2cncn2)c1 263810582 QPABBGSHCHUHMZ-UHFFFAOYSA-N 325.350 -0.215 10 20 EBCD O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cc(O)cs1 732281338 ZSXLFRPYMBPUHY-GHMZBOCLSA-N 346.430 -0.319 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCS(=O)(=O)C2)c1 919809805 KRSPZQVBSKAPDX-VIFPVBQESA-N 348.402 -0.319 10 20 EBCD O=C(NC[C@H]1C[C@H]2C=C[C@H]1CC2)C(=O)C(=O)C(=O)NC[C@H]1CCCN1 1118118610 IVBQGINMQPOKDM-IGQOVBAYSA-N 347.415 -0.289 10 20 EBCD C[C@H](CN)NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1350341075 GINQBMUQEILWON-GFCCVEGCSA-N 334.420 -0.273 10 20 EBCD CCOC(=O)c1cnn2c(O)cc(COC(=O)CNC(C)=O)nc12 918859564 WPVIXDJOIPJCFW-UHFFFAOYSA-N 336.304 -0.209 10 20 EBCD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CNCCO3)cc2)C1 827468836 DSRSNDLNMVMNCG-ZBFHGGJFSA-N 346.431 -0.007 10 20 EBCD COC[C@@](C)(O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O 748365933 WPEKADZUINPQQX-ZDUSSCGKSA-N 332.378 -0.109 10 20 EBCD CCN(CC)c1ccc(CNC(=O)C(=O)NCC(=O)NOC)cc1 1332633576 HBIFIOHYXFZRDZ-UHFFFAOYSA-N 336.392 -0.057 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCN2CC[C@@H](O)C2)c1 863320943 IARGTHJRTNTGNR-LLVKDONJSA-N 343.405 -0.440 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)NCCCS(C)(=O)=O)cc1 1321365266 UJWFQNBNGQSYGX-UHFFFAOYSA-N 341.433 -0.080 10 20 EBCD CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCS(=O)(=O)N2)cc1 846663362 GVHQUDSDJUGCSR-OLZOCXBDSA-N 326.422 -0.440 10 20 EBCD O=S1(=O)CCN(c2ccc(CN[C@@H]3CNCCOC3)cc2)CC1 925489032 WURQBIORFVAMMZ-OAHLLOKOSA-N 339.461 -0.001 10 20 EBCD Cn1nnnc1-c1ccc(NC(=O)C2=S=C(C(N)=O)C=C2)cc1 1617754809 AJUCXJBTTZBLKC-UHFFFAOYSA-N 328.357 -0.051 10 20 EBCD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 807103228 MAKSDHUWJWEYMS-AWEZNQCLSA-N 348.403 -0.610 10 20 EBCD COc1cc(C(=O)N[C@H]2CCN(C(=O)CC(N)=O)C2)cc(OC)n1 938307857 HQIWVCKLEAZPDX-JTQLQIEISA-N 336.348 -0.695 10 20 EBCD COC(=O)NC1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 1320446998 HKHPEHKLOMDHNC-UHFFFAOYSA-N 343.361 -0.056 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCOCCO)c1 272683368 SYVWKKPMXAVHOD-UHFFFAOYSA-N 332.378 -0.108 10 20 EBCD C[C@H](NC(=O)C(=O)NCCN1CCNCC1)c1ccc(N(C)C)cc1 842202824 LXZMBIZFTTWTKP-AWEZNQCLSA-N 347.463 -0.049 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@]2(C(N)=O)CCOC2)c1 848318169 NMXXHAZXKNBFQA-ZDUSSCGKSA-N 343.361 -0.862 10 20 EBCD CN1CCN(c2ccc(CNC(=O)Cn3cnc(N)n3)cc2)CC1 918838304 FCABYIYGPPAODU-UHFFFAOYSA-N 329.408 -0.072 10 20 EBCD CN(C)C[C@@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 816617914 LIPBAUVZYRNHIU-JTQLQIEISA-N 331.394 -0.584 10 20 EBCD CC(=O)NCC(=O)NCC(=O)NCc1ccc(N2CCOCC2)cc1 921165022 DECGOZOFWJZYEL-UHFFFAOYSA-N 348.403 -0.608 10 20 EBCD CN(Cc1ccccc1O)C(=O)C(=O)NCCN1C(=O)CCC1=O 1324617371 ZFTATTWIOFQQCQ-UHFFFAOYSA-N 333.344 -0.384 10 20 EBCD Cn1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(=O)n(C)c1=O 728697257 LQVGGRLYQRVBJR-WQLSENKSSA-N 326.312 -0.455 10 20 EBCD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCS(C)(=O)=O 788385400 REHNTHWXYQRFDO-UHFFFAOYSA-N 341.433 -0.162 10 20 EBCD CCOC(=O)CN(Cc1ccccc1O)C(=O)Cn1ncn(C)c1=O 819697290 UVALBNDYJWMKNU-UHFFFAOYSA-N 348.359 -0.121 10 20 EBCD COC(=O)C[C@@H](O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O 863016047 JLYBOGNRCRENIV-SECBINFHSA-N 346.361 -0.583 10 20 EBCD COc1cc(C(=O)NC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)cc(OC)n1 996368869 PSWSQORYUBKXOL-NSHDSACASA-N 348.359 -0.682 10 20 EBCD COc1cc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)cc(OC)n1 1013960270 UMPLEHQYGUQFLJ-PSASIEDQSA-N 336.348 -0.697 10 20 EBCD COc1ccc(CNCCNC(=O)[C@@H]2CCS(=O)(=O)N2)cc1C 1151306330 FXXMUOMFQPJLCB-ZDUSSCGKSA-N 341.433 -0.099 10 20 EBCD C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 285820501 XTPNZINXFZFROF-SNVBAGLBSA-N 336.367 -0.145 10 20 EBCD CN(C)c1ccc([C@@H](N)CNS(=O)(=O)N2CCNCC2)cc1 923632580 BBKROPRKLVYMGR-AWEZNQCLSA-N 327.454 -0.508 10 20 EBCD CC(=O)C(=O)Cn1c(Br)nc2c(=O)n(C)c(=O)n(C)c21 808016358 KANQGTCABLPRQH-UHFFFAOYSA-N 343.137 -0.646 10 20 EBCD C[C@@H](N)CN(C)C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 861761510 JXEPIXNITMCWRM-CYBMUJFWSA-N 334.420 -0.055 10 20 EBCD COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(C)c(O)c1O 275283777 NMKYXFRQKFUNAA-JTQLQIEISA-N 343.357 -0.182 10 20 EBCD CNS(=O)(=O)c1cc(NS(=O)(=O)c2cn(C)cn2)ccc1O 790408339 WNRHTSYQDNGLIX-UHFFFAOYSA-N 346.390 -0.165 10 20 EBCD COC(=O)CNC(=O)CNCc1ccc(N2CCN(C)CC2)cc1 877706399 KWCOEKSUKXKDOH-UHFFFAOYSA-N 334.420 -0.183 10 20 EBCD CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1ccccc1O 109771181 LFCMHXKURYDTMN-UHFFFAOYSA-N 332.360 -0.314 10 20 EBCD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC(CO)CO 266672889 BBMOIYLVQPEERC-UHFFFAOYSA-N 341.383 -0.061 10 20 EBCD COc1ccc(O)c(CNC(=S)NCCNS(C)(=O)=O)c1 733907762 YWYDLNZIAFWGRG-UHFFFAOYSA-N 333.435 -0.086 10 20 EBCD CNCCNC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 884686287 DLAAPSMJRGUPEF-UHFFFAOYSA-N 333.436 -0.610 10 20 EBCD Cn1nncc1NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 1117634812 BUVNNUDUIYCSBZ-UHFFFAOYSA-N 344.375 -0.093 10 20 EBCD COc1ccc(O)c([C@@H](C)NC(=O)CNS(=O)(=O)N(C)C)c1 830541467 YLHZPWUZGACBDK-SECBINFHSA-N 331.394 -0.026 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCOC[C@H]2C(=O)O)c1 833737966 OSYXCNQOOZZWNV-JTQLQIEISA-N 344.345 -0.311 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCc2nc(N)n[nH]2)c1 854517998 IZIIPJGFNMLTRF-UHFFFAOYSA-N 340.365 -0.564 10 20 EBCD Cn1nnnc1CNCCNC(=O)c1ccc(N=NC(N)=O)cc1 1153047712 KCVHQQUAERASNK-UHFFFAOYSA-N 331.340 -0.108 10 20 EBCD O=C(NC[C@@H]1C[C@H]2C=C[C@H]1CC2)C(=O)C(=O)C(=O)N[C@H]1CCNC1 1327523389 JLLNGCBKOSFONP-CYDGBPFRSA-N 333.388 -0.679 10 20 EBCD C[C@@H](O)CN(C)C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 898324616 RBFHGUSPALTQBJ-CQSZACIVSA-N 348.447 -0.106 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2CNC(=O)C2)c1 1348021101 OUVDRAABUKUUBE-QMMMGPOBSA-N 327.362 -0.370 10 20 EBCD CN(C)C(=O)NCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O 271991900 RAYXVIFQQUREFO-UHFFFAOYSA-N 344.393 -0.235 10 20 EBCD CN1CCCc2cc(CNC(=O)C(=O)NC[C@@H]3CNCCO3)ccc21 842150395 QXAWNDLIJLQYBK-HNNXBMFYSA-N 346.431 -0.210 10 20 EBCD C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CCN1 842192378 RPYLFBATVUNQSB-AWEZNQCLSA-N 346.431 -0.040 10 20 EBCD Cc1cc(N2CC=C(CCNC(=O)CC(N)=O)CC2)nc(CO)n1 1089822161 RMXXBBQLQUGDEJ-UHFFFAOYSA-N 333.392 -0.204 10 20 EBCD CN(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CCS(=O)(=O)N2)cc1 846663363 GVHQUDSDJUGCSR-QWHCGFSZSA-N 326.422 -0.440 10 20 EBCD CN1C(=O)C(=CNc2cccc3c2C(=O)NC3=O)C(=O)N(C)C1=O 25351785 OFGCGUMICDIZEG-UHFFFAOYSA-N 328.284 -0.084 10 20 EBCD Nc1ccc(CCNC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 1325711728 GCBYMVSFOLTJKW-ZDUSSCGKSA-N 330.388 -0.193 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@]2(C(=O)O)CCOC2)c1 833737863 LMSBKZDCDCOJJU-ZDUSSCGKSA-N 344.345 -0.263 10 20 EBCD C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 966773283 JGTDRUIHVMXIOM-KCJUWKMLSA-N 346.347 -0.089 10 20 EBCD COC(=O)[C@@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 274189486 LKLHLZAXYNURCB-SECBINFHSA-N 332.334 -0.973 10 20 EBCD CNS(=O)(=O)c1cc(NS(=O)(=O)c2cn[nH]c2)ccc1O 790407464 MIDWFRBUURBFIB-UHFFFAOYSA-N 332.363 -0.176 10 20 EBCD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3(O)CNC3)cc2)C1 852860956 MQJVGEUPLUMBKI-ZDUSSCGKSA-N 332.404 -0.661 10 20 EBCD COc1cc(C(=O)NC2CN(Cc3cn(C)nn3)C2)cc(OC)n1 1030612704 YDEAYALNVWAPOY-UHFFFAOYSA-N 332.364 -0.159 10 20 EBCD COc1ccc(-n2nnnc2CNCCNC(=O)[C@@H]2CCOC2)cc1 1124503084 VVUZVDKHSBOCRS-GFCCVEGCSA-N 346.391 -0.087 10 20 EBCD COc1cc(C(=O)NC2CN(C(=O)Cn3ccnc3)C2)cc(OC)n1 996369679 YRTRJWXTNPDCNT-UHFFFAOYSA-N 345.359 -0.064 10 20 EBCD CN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 1323887088 ZXIFXOTUECTGLU-YPMHNXCESA-N 335.360 -0.500 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 1321594023 SEPRTBNJBYWEIC-AWEZNQCLSA-N 345.403 -0.395 10 20 EBCD C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1nnnn1C 1336715707 JRWOKRZBMUXLGC-SSDOTTSWSA-N 340.365 -0.222 10 20 EBCD CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CCO1 283648809 XRTRHQKUGOAXDD-CQSZACIVSA-N 348.403 -0.658 10 20 EBCD Cn1c(N)c(C(=O)COC(=O)c2cccc(O)c2O)c(=O)n(C)c1=O 758559897 GUDCIMWJDOJLET-UHFFFAOYSA-N 349.299 -0.883 10 20 EBCD NC(=O)Cn1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)nn1 742574150 RVTAJFFVHDJAQN-UHFFFAOYSA-N 344.375 -0.470 10 20 EBCD O=C1CN(CCN2C(=O)CN(Cc3ccccc3O)C2=O)CCN1 925325958 OMJCUEVNAPMAOI-UHFFFAOYSA-N 332.360 -0.412 10 20 EBCD O=C(Cn1ncnn1)NCCC1=CCN(c2nccnc2F)CC1 1089845666 XNKWEADTGCZNEK-UHFFFAOYSA-N 332.343 -0.055 10 20 EBCD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1nnn(C)n1 1117431586 UURIUKKPQTXKMG-UHFFFAOYSA-N 345.407 -0.059 10 20 EBCD NCC(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847039084 KRQNFMQWUSCTSP-HWKANZROSA-N 347.371 -0.021 10 20 EBCD CC(=O)N[C@@H](CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1)C(N)=O 1328468090 ABVTVRCARDUGSR-KBPBESRZSA-N 335.408 -0.751 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCC(=O)NC2)c1 264269839 WKXJZUFRZBTHGZ-SECBINFHSA-N 327.362 -0.228 10 20 EBCD CN1CCN(c2ccc(CN3C[C@H](C(N)=O)[C@@H](C(N)=O)C3)cc2)CC1 895314819 RHWUAQXJARXHGO-HOTGVXAUSA-N 345.447 -0.543 10 20 EBCD N[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 851690869 CEISMYYLKUACMX-AWEZNQCLSA-N 346.431 -0.177 10 20 EBCD CN1CCN(c2ccc(CNC(=O)C(=O)NCC3CNC3)cc2)CC1 884693649 ILRAPHJWPUBZJH-UHFFFAOYSA-N 345.447 -0.610 10 20 EBCD COc1ccc(N2CCN(C(=O)CN3C[C@H](O)[C@H](O)C3)CC2)cc1 278936445 XSZZKERHHWUFNF-IYBDPMFKSA-N 335.404 -0.619 10 20 EBCD CNS(=O)(=O)CC(=O)NCc1ccc(N2CCOCC2)cc1 751461457 SSVFAOGYPJLCDB-UHFFFAOYSA-N 327.406 -0.311 10 20 EBCD Cn1nncc1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 798907245 XHALDJXTHUIDKW-UHFFFAOYSA-N 349.416 -0.020 10 20 EBCD COc1ccc(N2CCN(C(=O)CN(C)C[C@H](O)CN)CC2)cc1 844225905 XVMHGFBSFOGICK-OAHLLOKOSA-N 336.436 -0.405 10 20 EBCD N[C@@H]1CCN(C(=O)C(=O)C(=O)C(=O)N2CC[C@@H](c3cccnc3)C2)C1 1261482436 MAQCNLBHPNPPAO-CHWSQXEVSA-N 344.371 -0.905 10 20 EBCD CCONC(=O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O 846493547 ATUMBZQRTOHLIL-UHFFFAOYSA-N 331.350 -0.439 10 20 EBCD Cn1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c(=O)n(C)c1=O 783702934 CHOFHVDLSNQDAI-UHFFFAOYSA-N 334.284 -0.465 10 20 EBCD NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3CNCCO3)cc2)CC1 1332113635 XVNNKKYUYRTZPC-INIZCTEOSA-N 346.431 -0.007 10 20 EBCD CN1C(=O)CC[C@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1=O 1345685025 UPYVNNSNWQNVJU-ZDUSSCGKSA-N 346.387 -0.368 10 20 EBCD NC(=O)N=Nc1ccc(C(=O)NCCCNCC(=O)NC(N)=O)cc1 1177237606 FPBLNZYMNXOOCL-UHFFFAOYSA-N 349.351 -0.247 10 20 EBCD COc1ccc(N(C)CCN(C)C(=O)Cn2cnc(C(N)=O)n2)cc1 844857388 VNVICYGKXQZCDT-UHFFFAOYSA-N 346.391 -0.020 10 20 EBCD CN(C)c1ccc([C@H](N)CNC(=O)c2cn(C)c(=O)nc2O)cc1 832300578 ZMFKCGPRMCBWSS-CYBMUJFWSA-N 331.376 -0.018 10 20 EBCD COc1ccc(CNCCNC(=O)c2cn(CC(N)=O)nn2)cc1C 1152420793 JKTWVZFKBNCAFK-UHFFFAOYSA-N 346.391 -0.400 10 20 EBCD O=C(NC[C@@H]1C[C@H]2C=C[C@H]1CC2)C(=O)C(=O)C(=O)N[C@@H]1CCNC1 1335282628 JLLNGCBKOSFONP-ZDEQEGDKSA-N 333.388 -0.679 10 20 EBCD CC(C)NS(=O)(=O)NCCNC(=O)NCc1ccc(N)cc1 1575740840 ZJGSXRJKUKENKS-UHFFFAOYSA-N 329.426 -0.100 10 20 EBCD CNS(=O)(=O)N1CCN(C(=O)c2ccc(C)c(O)c2O)CC1 846078876 FZWYNHPSTSWWRQ-UHFFFAOYSA-N 329.378 -0.372 10 20 EBCD CS(=O)(=O)N=S1(=O)CCN(C(=O)c2cccc(O)c2O)CC1 854592332 JGKNMGXLMHQKLG-UHFFFAOYSA-N 348.402 -0.019 10 20 EBCD CCOCCS(=O)(=O)NCC(=O)NCc1ccc(OC)cc1O 794390581 MDQAJIUMAJGSCV-UHFFFAOYSA-N 346.405 -0.027 10 20 EBCD CN1CCN(c2ccc(CNC(=O)C(=O)N3CCOCC3)cc2)CC1 898327898 WZXJBMJFRGLMDI-UHFFFAOYSA-N 346.431 -0.087 10 20 EBCD CN(CCN)C(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 911579054 PDVUJHPVGUKRRR-HNNXBMFYSA-N 335.452 -0.111 10 20 EBCD CS(=O)(=O)N1CCN(CCNC(=O)c2cc(O)cs2)CC1 732276241 OLYSNLKDNYVNTR-UHFFFAOYSA-N 333.435 -0.239 10 20 EBCD CN(C)c1ccc([C@H](N)CNC(=O)CN2CCC(=O)NC2=O)cc1 832273831 QTADIYQURBKWEP-CYBMUJFWSA-N 333.392 -0.190 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)N(CCN)CCO)cc1F 842147966 JTKCNUWQOWPYLE-UHFFFAOYSA-N 326.372 -0.713 10 20 EBCD NC(=O)CN1C[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](O)C1 958733878 WAHYDSKCDLJQBU-JQWIXIFHSA-N 348.363 -0.643 10 20 EBCD CC(C)[C@@H](N)CNC(=O)C(=O)C(=O)C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2 1325745418 YKVIFEYQBUTADS-XUXIUFHCSA-N 349.431 -0.057 10 20 EBCD COc1cc(C(=O)N[C@@H]2COC3(C2)CN(CCO)C3)cc(OC)n1 1053858796 RJXZWNREBYHDOU-LBPRGKRZSA-N 337.376 -0.336 10 20 EBCD C[C@@H](O)CN(C)C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 788317986 CBNLZQYTBCNYQE-CYBMUJFWSA-N 335.404 -0.021 10 20 EBCD CNC[C@@H](C)NC(=O)C(=O)C(=O)C(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2 1327534111 YPIQLXDAINCQHI-MROQNXINSA-N 335.404 -0.433 10 20 EBCD CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1329782821 QGRQQKFUFJCSSE-TXEJJXNPSA-N 345.355 -0.576 10 20 EBCD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3CNC(=O)N3)nc12 732360548 LWYKRNDWRGHMRE-SECBINFHSA-N 349.303 -0.664 10 20 EBCD NC(=O)CC(=O)NCCC1=CCN(c2nccn3nnnc23)CC1 1089821967 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1120280568 IVYAXIFXHCBQLP-LBPRGKRZSA-N 339.417 -0.328 10 20 EBCD CN1CCO[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1=O 900338298 UVRSAFPGJCMPCW-OAHLLOKOSA-N 333.388 -0.003 10 20 EBCD CN1C(=O)CC[C@@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1=O 1345685024 UPYVNNSNWQNVJU-CYBMUJFWSA-N 346.387 -0.368 10 20 EBCD O=C(CCNC(=O)c1cc(O)cs1)N[C@@H]1CCS(=O)(=O)C1 1347182101 WUPTZGXZUAMUMX-MRVPVSSYSA-N 332.403 -0.123 10 20 EBCD CNC(=O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1347192573 SVOYYWKOQZZWSZ-UHFFFAOYSA-N 325.390 -0.716 10 20 EBCD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)NC1CNC1 842217069 STXIOJOFXVNGDR-UHFFFAOYSA-N 336.367 -0.634 10 20 EBCD CN(C)c1ccc([C@@H](N)CNC(=O)CNS(=O)(=O)N(C)C)cc1 1578424282 CRCKCTMDXHGBLD-ZDUSSCGKSA-N 343.453 -0.735 10 20 EBCD C[C@H](NC(=O)c1cc(O)cs1)C(=O)N1CCS(=O)(=O)CC1 732285840 MVXMNLKNJZBHAO-QMMMGPOBSA-N 332.403 -0.171 10 20 EBCD CNC(=O)CCN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O 729534546 ZPMQQEQBBOUFJO-UHFFFAOYSA-N 329.378 -0.028 10 20 EBCD CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 843297716 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1343309663 CAKXGCSBMHDBRL-UHFFFAOYSA-N 345.359 -0.380 10 20 EBCD COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCC(N)=O)CC2)cc1 778229371 SPKPYTOMTCZDQP-VOTSOKGWSA-N 346.387 -0.499 10 20 EBCD C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@@H](CO)O1 787474363 CFWJLPLAKDLZFV-KOLCDFICSA-N 344.389 -0.015 10 20 EBCD CN(C)c1ccc([C@@H](N)CNC(=O)C2=NN3CCCN=C3N2)cc1 843298372 NVARDSVSUSJQJL-ZDUSSCGKSA-N 329.408 -0.153 10 20 EBCD Nc1ccc(CCNC(=O)C2CCN(S(N)(=O)=O)CC2)cc1 843343155 UOHLDIDJXHLFTE-UHFFFAOYSA-N 326.422 -0.157 10 20 EBCD C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1)C(=O)O 848609098 XMNATRNXRUTISR-GFCCVEGCSA-N 349.387 -0.024 10 20 EBCD CNCCNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 851665303 VATLBNUWCMBQQG-UHFFFAOYSA-N 340.449 -0.060 10 20 EBCD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)NC1CC1 1324120636 GEXAEFAIUZBULG-NSHDSACASA-N 336.344 -0.033 10 20 EBCD COc1ccc(N2CCN(C[C@@H](O)Cn3c(=O)ncn3C)CC2)cc1 840773790 GBCQACCLOXYZDX-OAHLLOKOSA-N 347.419 -0.227 10 20 EBCD CNC(=O)Cn1cc(NC(=O)C(=O)N(C)Cc2ccccc2O)cn1 1324222494 WBKJUOZJUFACHY-UHFFFAOYSA-N 345.359 -0.068 10 20 EBCD CN(CCCN)C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 851685804 GWLCYJHQKHPRDQ-UHFFFAOYSA-N 334.420 -0.053 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)N2CCCNC(=O)C2)cc1F 1349213916 XZWOYKNYASOKHO-UHFFFAOYSA-N 336.367 -0.144 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCN2CC[C@H](O)C2)c1 863831302 IARGTHJRTNTGNR-NSHDSACASA-N 343.405 -0.440 10 20 EBCD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)N1CCNCC1 817920663 RVOXLWFELUINOV-UHFFFAOYSA-N 346.431 -0.087 10 20 EBCD COc1ccc(N2CCN(CCNC(=O)C(=O)NCCN)CC2)cc1 842152503 ILBPAHUMDHNXMP-UHFFFAOYSA-N 349.435 -0.992 10 20 EBCD C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CCN1 842192382 RPYLFBATVUNQSB-CQSZACIVSA-N 346.431 -0.040 10 20 EBCD CN(C)c1ccc([C@H](N)CNC(=O)CNC(=O)[C@@H]2CCCN2)cc1 832273225 MDJVLJIYUCRFPF-CABCVRRESA-N 333.436 -0.263 10 20 EBCD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCNC1 861761979 PCOSKOTYSQHVEI-CQSZACIVSA-N 332.404 -0.383 10 20 EBCD O=C(O)C[C@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(O)c(O)c1 1601963678 DVEKIRPPJDTFJQ-JTQLQIEISA-N 343.357 -0.259 10 20 EBCD COC(=O)NCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O 857530162 CTPZLGTXBSKJDB-UHFFFAOYSA-N 331.350 -0.151 10 20 EBCD C[C@@H](NC(=O)C(=O)NCc1nnn(C)n1)c1ccc(N(C)C)cc1 1324845075 IAYPHENIQNQLJI-SNVBAGLBSA-N 331.380 -0.230 10 20 EBCD COc1cccc(CNC(=O)[C@@]23CNC[C@@H]2CS(=O)(=O)C3)c1O 1579277572 GNMJHTVMRINGRY-IAQYHMDHSA-N 340.401 -0.349 10 20 EBCD CCOC(=O)c1cnn2c(O)cc(CN3CCO[C@@H](C(N)=O)C3)nc12 51104196 VSHPDZQVBLFELW-LLVKDONJSA-N 349.347 -0.702 10 20 EBCD CCOC(=O)[C@@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 782766925 HXMJBMHESHUQSW-SNVBAGLBSA-N 346.361 -0.583 10 20 EBCD CN(C)c1ccc([C@H](N)CNC(=O)CN(C)S(C)(=O)=O)cc1 832280552 PLXINGRBBDJUTG-CYBMUJFWSA-N 328.438 -0.240 10 20 EBCD COCCNCCNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 842147108 AYOBXCQGAPCSBO-UHFFFAOYSA-N 340.399 -0.140 10 20 EBCD COc1cc(C(=O)NC2CN(CCS(C)(=O)=O)C2)cc(OC)n1 1030612518 REBVDSIELRAAOL-UHFFFAOYSA-N 343.405 -0.443 10 20 EBCD COc1ccc(CNCCNC(=O)Cn2cnc(C(N)=O)n2)cc1C 1127653419 WKBKHVHUWLXSHY-UHFFFAOYSA-N 346.391 -0.400 10 20 EBCD COc1ccc(N2CCN(C[C@@H](O)CNC3(C(N)=O)CC3)CC2)cc1 754249557 UTJMQJGORFHCPC-HNNXBMFYSA-N 348.447 -0.214 10 20 EBCD COCC(=O)N1CC(O)(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 1043560371 WAPPADWKZRWLAB-UHFFFAOYSA-N 349.347 -0.202 10 20 EBCD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCO[C@@H](C(=O)O)C1 817115597 NOMKPOAWBUUUJX-CQSZACIVSA-N 349.387 -0.011 10 20 EBCD COc1ccc(O)c(CNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)c1 830544656 SLEBECDPUIBFHG-JTQLQIEISA-N 343.405 -0.068 10 20 EBCD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(O)O)c1cc(O)nc(O)c1 1792899556 OHDDJIUZSKOJIB-ILWJIGKKSA-N 337.332 -0.945 10 20 EBCD Cc1ccc(C(=O)Nc2cnn(CC(=O)NCCO)c2)c(O)c1O 273003755 OWTRLILSRFPJRE-UHFFFAOYSA-N 334.332 -0.036 10 20 EBCD CCN1C(=O)C(=CNNS(=O)(=O)C(C)C)C(=O)N(CC)C1=S 299608929 GIZJBBFMWLOGGG-UHFFFAOYSA-N 348.450 -0.302 10 20 EBCD COc1ccc(N2CC[C@H](CNC(=O)[C@@H](CO)NC(N)=O)C2)cc1 819585884 JHQDBWPASDENRW-BXUZGUMPSA-N 336.392 -0.333 10 20 EBCD CN1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCNC3)cc2)CC1 884678526 DTXQPEDDDGAOGO-OAHLLOKOSA-N 345.447 -0.467 10 20 EBCD COc1cc(C(=O)N[C@H]2CCN([C@@H]3CCNC3=O)C2)cc(OC)n1 1015102774 KVHGKQKHBRIQRU-NWDGAFQWSA-N 334.376 -0.209 10 20 EBCD COc1ccc(N2CCN(CCNC(=O)C3(O)CNC3)CC2)cc1 852872749 LQCHMNHGXCPJCQ-UHFFFAOYSA-N 334.420 -0.732 10 20 EBCD CCOC(=O)c1cnn2c(O)cc(CN3CCNC(=O)[C@@H]3C)nc12 263932617 YWGMUAWXYGJMCA-VIFPVBQESA-N 333.348 -0.068 10 20 EBCD Cn1cnc(=O)n1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 278680192 HQDHGTHGQICEPY-UHFFFAOYSA-N 349.366 -0.126 10 20 EBCD NC(=O)N[C@H](CO)C(=O)NCc1ccc(N2CCSCC2)cc1 765471614 DFDUFCPOTIJOPI-CYBMUJFWSA-N 338.433 -0.115 10 20 EBCD C[C@@H]1C(=O)NCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 271355315 XUXFGBOVCIYBIJ-MRVPVSSYSA-N 327.362 -0.276 10 20 EBCD CN(C)C[C@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 816617915 LIPBAUVZYRNHIU-SNVBAGLBSA-N 331.394 -0.584 10 20 EBCD CO[C@@H]1COC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O 844027936 XIXTYVQRYNOTOH-ZYHUDNBSSA-N 330.362 -0.093 10 20 EBCD Nc1ccc(CCNC(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)cc1 851687990 NSRFMGUZVPYCSO-INIZCTEOSA-N 346.431 -0.139 10 20 EBCD C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 832282307 YNQJPNRXXKXLMO-ZWNOBZJWSA-N 328.438 -0.194 10 20 EBCD CN(C)c1ccc([C@@H](N)CNC(=O)Cn2ccc(O)nc2=O)cc1 843298216 LOWRBFAHWJBSFL-ZDUSSCGKSA-N 331.376 -0.169 10 20 EBCD CN[C@H](C)CCNC(=O)C(=O)C(=O)C(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2 1118120366 WDMHJFTWUSEXSZ-ZOBORPQBSA-N 349.431 -0.043 10 20 EBCD C[C@H](N)CCNC(=O)C(=O)C(=O)C(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2 1119353174 VBOXEFKEARSSKO-ZDEQEGDKSA-N 335.404 -0.303 10 20 EBCD COc1ccc(N2CCN(CCN3C(=O)N[C@@H](CO)C3=O)CC2)cc1 1335230125 YYKRXIKBIPLZJY-HNNXBMFYSA-N 348.403 -0.270 10 20 EBCD CN1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCOC3)cc2)CC1 897664775 PHQAWHVGWYITIB-OAHLLOKOSA-N 346.431 -0.040 10 20 EBCD NC(=O)N=Nc1ccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)C(N)=O)C[C@@H]32)cc1 976709659 FHAHHCYBIPLZMC-URLYPYJESA-N 344.331 -0.479 10 20 EBCD NS(=O)(=O)[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 755909804 UVMVUGKWKZHMNN-SSDOTTSWSA-N 342.333 -0.207 10 20 EBCD CN1CCN(c2ccc(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)CC1 918846176 QBFOBVCPLWBWOP-AWEZNQCLSA-N 345.403 -0.347 10 20 EBCD CNS(=O)(=O)NC1CCN(C(=O)c2cccc(O)c2O)CC1 846057982 YYYINRAZZHPJFY-UHFFFAOYSA-N 329.378 -0.244 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)N(C)[C@H]2CCNC2=O)cc1F 1322172947 YWYMWPGWXHQSML-ZDUSSCGKSA-N 336.367 -0.145 10 20 EBCD CC(=O)C(=O)CN1C(=O)N[C@@](C)(c2ccc(-c3nn[nH]n3)cc2)C1=O 1588782923 ZXXVIUHUKHSILA-HNNXBMFYSA-N 342.315 -0.208 10 20 EBCD Cc1ccc(C(=O)NCCN2CCS(=O)(=O)CC2)c(O)c1O 272866945 VRYHTPOGGBYLSB-UHFFFAOYSA-N 328.390 -0.134 10 20 EBCD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1cncn1 1320398322 NAVANYTZVRPSPH-NSHDSACASA-N 334.332 -0.020 10 20 EBCD COC(=O)NC1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 1116976017 LIVJRWJWPXCUBM-UHFFFAOYSA-N 334.376 -0.064 10 20 EBCD CN(C)c1ccc([C@H](N)CNC(=O)Cn2ccc(O)nc2=O)cc1 843298215 LOWRBFAHWJBSFL-CYBMUJFWSA-N 331.376 -0.169 10 20 EBCD CN1CC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 929468077 IUMZWNWFCSWUOH-INIZCTEOSA-N 346.431 -0.040 10 20 EBCD N[C@H](CNC(=O)C(=O)C(=O)C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2)C1CC1 1261423002 LQRBDNQOBIEYGT-AUZPSNTRSA-N 347.415 -0.303 10 20 EBCD CN(C)S(=O)(=O)CCCS(=O)(=O)NCc1ccc(N)cc1 1578420591 QZKCPLUGHYHEAI-UHFFFAOYSA-N 335.451 -0.030 10 20 EBCD COCCCS(=O)(=O)NCC(=O)NCCc1ccc(O)c(O)c1 270554186 PYLVHMULIIAPJF-UHFFFAOYSA-N 346.405 -0.288 10 20 EBCD C[C@@H](OC(=O)c1cccc(O)c1O)C(=O)N[C@@H]1CCS(=O)(=O)C1 784796775 CWMFZHXJIICHJG-RKDXNWHRSA-N 343.357 -0.054 10 20 EBCD CN1CCN(c2ccc(CNC(=O)N3C[C@@H](O)[C@@H](CO)C3)cc2)CC1 889663291 OADGSOUJKWPCBQ-NVXWUHKLSA-N 348.447 -0.067 10 20 EBCD CC[C@@H](CNC(=O)C(N)=O)NCc1nnnn1-c1ccc(OC)cc1 1753485451 XZSSHMJHRQGHFT-JTQLQIEISA-N 347.379 -0.859 10 20 EBCD CNC(=O)NC(=O)CNCCNC(=O)c1ccc(N=NC(N)=O)cc1 1153048235 WQNZTANKXAQZTR-UHFFFAOYSA-N 349.351 -0.376 10 20 EBCD COC1(CO)CCN(C(=O)C(=O)NCCc2ccc(N)cc2)CC1 1329122432 YVACCGRBAANVKR-UHFFFAOYSA-N 335.404 -0.073 10 20 EBCD CC(C)NS(=O)(=O)NCCNC(=O)NCCc1ccc(N)cc1 841886619 VFWFMFYLZDQZHM-UHFFFAOYSA-N 343.453 -0.057 10 20 EBCD CN(CCO)C(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 934318446 VTWXUNCNHBAWAL-HNNXBMFYSA-N 336.436 -0.078 10 20 EBCD COc1cc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)C(N)=O)C2)cc(OC)n1 1013960273 UMPLEHQYGUQFLJ-WCBMZHEXSA-N 336.348 -0.697 10 20 EBCD CCOC(=O)CN(Cc1ccccc1O)C(=O)CN1CCNC(=O)C1 911303030 DMCLHONBSXCYBH-UHFFFAOYSA-N 349.387 -0.284 10 20 EBCD COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCC(N)=O)CC2)cc1 778229370 SPKPYTOMTCZDQP-SREVYHEPSA-N 346.387 -0.499 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC(CC(N)=O)C2)c1 794281530 QUEOZQLSQXGGGG-UHFFFAOYSA-N 327.362 -0.289 10 20 EBCD NC(=O)[C@]1(O)CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 276485925 MNYYVQULHRVQJJ-PXPSOEEZSA-N 345.399 -0.015 10 20 EBCD CS(=O)(=O)C[C@H](NCc1ccc(N2CC[C@@H](O)C2)cc1)C(=O)O 1777396195 XIGHJNUAJIFORB-KGLIPLIRSA-N 342.417 -0.155 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@]2(C(N)=O)CCOC2)c1 848318168 NMXXHAZXKNBFQA-CYBMUJFWSA-N 343.361 -0.862 10 20 EBCD CN1CCN(C)[C@@H](CNC(=O)C(=O)N(C)Cc2ccccc2O)C1 1342095947 IEZNFNCDPFJFNY-AWEZNQCLSA-N 334.420 -0.287 10 20 EBCD CN1CCN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CC1=O 846727987 ZZSQMVXYCPYCDS-UHFFFAOYSA-N 344.415 -0.014 10 20 EBCD COc1cc(C(=O)NC2CN(Cc3nncn3C)C2)cc(OC)n1 1030612604 VREWHVNPNLUARS-UHFFFAOYSA-N 332.364 -0.159 10 20 EBCD CN(Cc1ccccc1O)c1[nH]c(=O)n(C)c(=O)c1-c1nn[nH]n1 1591147452 LMZAGFINLNQGGY-UHFFFAOYSA-N 329.320 -0.404 10 20 EBCD COc1ccc(O)c(CN2CCN(C(=O)Cn3cnnn3)CC2)c1 289816647 NXDDFPPMCGQMGF-UHFFFAOYSA-N 332.364 -0.268 10 20 EBCD CONC(=O)CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C 1351145477 ZVYBSHJLPZWTQP-UHFFFAOYSA-N 334.376 -0.521 10 20 EBCD COc1ccc(N2CCN(C(=O)CN3C[C@@H](O)C[C@H]3CO)CC2)cc1 270670092 RADVHLUYVZRFRH-HOTGVXAUSA-N 349.431 -0.229 10 20 EBCD COC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)OC 778500160 AWKMOLVNVDRJMJ-SNVBAGLBSA-N 346.361 -0.319 10 20 EBCD CCOC(=O)[C@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 782766923 HXMJBMHESHUQSW-JTQLQIEISA-N 346.361 -0.583 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)cc1 817109666 IVGKTDSVDRXNOC-CYBMUJFWSA-N 335.360 -0.319 10 20 EBCD NC(=O)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 958733876 WAHYDSKCDLJQBU-CMPLNLGQSA-N 348.363 -0.643 10 20 EBCD COc1ccc(CNC(=S)NCCNS(C)(=O)=O)c(O)c1 795031067 HJLKDAFPWURGSX-UHFFFAOYSA-N 333.435 -0.086 10 20 EBCD Nc1ccc(CC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)cc1 842513979 UPJSDJVYXYPBKV-UHFFFAOYSA-N 338.433 -0.743 10 20 EBCD COc1ccc(CNC(=O)NCCNS(=O)(=O)N(C)C)c(O)c1 854109452 XFKRGWGRZMBLGH-UHFFFAOYSA-N 346.409 -0.404 10 20 EBCD COC(=O)C[C@H](O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O 863016048 JLYBOGNRCRENIV-VIFPVBQESA-N 346.361 -0.583 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCS(=O)(=O)CC2)c1 1115981329 JOCBYQJSJJJWPJ-UHFFFAOYSA-N 348.402 -0.366 10 20 EBCD O=C(c1cc(O)cs1)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 768728050 AQZZVCDVNFIHQV-UHFFFAOYSA-N 343.390 -0.282 10 20 EBCD C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@H](CO)O1 787474362 CFWJLPLAKDLZFV-GXSJLCMTSA-N 344.389 -0.015 10 20 EBCD NC[C@@H](NC(=O)C(=O)C(=O)C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2)C1CC1 1327839371 LPFZECDEAJODAL-AUZPSNTRSA-N 347.415 -0.303 10 20 EBCD C[C@@H](N)CN(C)C(=O)C(=O)C(=O)C(=O)N1CC[C@@H](c2cccnc2)C1 1331781470 YMUKYQNBTUNTGS-DGCLKSJQSA-N 346.387 -0.659 10 20 EBCD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N1C[C@@H]2C[C@H]1CN2 884613094 CTFYEJNOYVYASH-HOCLYGCPSA-N 344.415 -0.288 10 20 EBCD O=C(NCCC1=CCN(c2ccc3nnnn3n2)CC1)c1cnon1 1089837771 FYGFOUPPHOIAMR-UHFFFAOYSA-N 341.335 -0.141 10 20 EBCD NC(=O)CN1CCOC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 1051262536 BGIGNGFGXCFQKL-GFCCVEGCSA-N 348.363 -0.235 10 20 EBCD CNC(=O)[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CCO1 184065319 PPXJCKOJFNXBJJ-OAHLLOKOSA-N 334.420 -0.184 10 20 EBCD COCCN1C(=O)/C(=C/NNc2ncccc2F)C(=O)NC1=S 794696696 ATVLNPHEKMCFKY-BQYQJAHWSA-N 339.352 -0.089 10 20 EBCD CN(C)c1ccc(CNC(=O)CN2CCN(C(=O)C(=O)O)CC2)cc1 844243175 YQPYNXBEDLJPTE-UHFFFAOYSA-N 348.403 -0.402 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C[C@H]3C[C@H]2C(=O)O3)c1 861869980 VBENDJLNNGOPKF-SCZZXKLOSA-N 326.330 -0.096 10 20 EBCD CN(C(=O)C(N)=O)C1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 955162897 AOGMRLHTPXVIGB-UHFFFAOYSA-N 332.320 -0.383 10 20 EBCD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(C)c(=O)n(C)c1=O 773741810 YRURXDKKHCJWQO-VIFPVBQESA-N 333.344 -0.144 10 20 EBCD COc1cc(C(=O)N[C@H]2C[C@H](NCc3nnn(C)n3)C2)cc(OC)n1 1020352241 DVDCILIIZGZKAQ-XYPYZODXSA-N 347.379 -0.327 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)NN2CCCNC2=O)c1 1116507996 XUWUSQVKWSAVSF-UHFFFAOYSA-N 328.350 -0.176 10 20 EBCD CC(=O)N1CCN(c2ccc(CNC(=O)Cn3ncnn3)cc2)CC1 1348415983 CVJCICCTRIQHTK-UHFFFAOYSA-N 343.391 -0.342 10 20 EBCD CCOCCS(=O)(=O)NCC(=O)NCc1ccc(O)c(O)c1 272366987 TWEGCMWQERJWLS-UHFFFAOYSA-N 332.378 -0.330 10 20 EBCD CO[C@@H](CN)C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 884334379 OBOZLERWYMHIAA-INIZCTEOSA-N 334.420 -0.055 10 20 EBCD NCc1nnnn1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 830463195 KXUUDVWQMQAURA-UHFFFAOYSA-N 349.370 -0.576 10 20 EBCD CC(=O)NCC(=O)NCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 832281092 SDNXCQIQNMTTDG-CQSZACIVSA-N 335.408 -0.879 10 20 EBCD CCC(=O)N[C@@H]1CN(Cc2nnnn2-c2ccc(OC)cc2)C[C@@H]1O 1083297705 WKOBNSAQUXVQCZ-KGLIPLIRSA-N 346.391 -0.258 10 20 EBCD CN(C)C[C@](C)(O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O 269920652 RPZMLUGYKZOSHV-CQSZACIVSA-N 345.421 -0.194 10 20 EBCD CN(C)c1ccc([C@H](N)CNC(=O)CNS(=O)(=O)N(C)C)cc1 1578424281 CRCKCTMDXHGBLD-CYBMUJFWSA-N 343.453 -0.735 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1120280567 IVYAXIFXHCBQLP-GFCCVEGCSA-N 339.417 -0.328 10 20 EBCD NC(=O)[C@H]1CCCN(c2ccc(CN3C(=O)N[C@H](CO)C3=O)cc2)C1 1119626798 GAOAWRAWZBNOHT-GXTWGEPZSA-N 346.387 -0.199 10 20 EBCD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CNCCO3)cc2)C1 827468833 DSRSNDLNMVMNCG-GDBMZVCRSA-N 346.431 -0.007 10 20 EBCD O=C(Cn1cncn1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1261754439 ZPQUSKNXWIJNAN-UHFFFAOYSA-N 349.416 -0.171 10 20 EBCD CN(C)c1ccc([C@H](N)CNC(=O)C2=NN3CCCN=C3N2)cc1 843298368 NVARDSVSUSJQJL-CYBMUJFWSA-N 329.408 -0.153 10 20 EBCD COc1cc(C(=O)N[C@H]2C[C@H](NCc3nc(O)n[nH]3)C2)cc(OC)n1 1020352596 XENPYXONXUEHDI-MGCOHNPYSA-N 348.363 -0.027 10 20 EBCD Cc1nc2ncnn2c(N2CC=C(CCNC(=O)C(N)=O)CC2)c1C 1089862570 WJHUKJJVRHIGPF-UHFFFAOYSA-N 343.391 -0.131 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCc2nc(O)n[nH]2)c1 774927248 UWDNXRYJVCFOPV-UHFFFAOYSA-N 328.306 -0.056 10 20 EBCD CN(C)C(=O)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1842836478 OQHYTIXSPVIIOA-UHFFFAOYSA-N 348.359 -0.602 10 20 EBCD COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(C)c(O)c1O 275283785 NMKYXFRQKFUNAA-SNVBAGLBSA-N 343.357 -0.182 10 20 EBCD CS(=O)(=O)N1CCN(CCNC(=O)c2cccc(O)c2O)CC1 790574803 SSDDDRAHPODZGX-UHFFFAOYSA-N 343.405 -0.595 10 20 EBCD CNC[C@H](C)NC(=O)C(=O)C(=O)C(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2 1327534115 YPIQLXDAINCQHI-ZDEQEGDKSA-N 335.404 -0.433 10 20 EBCD Nc1ccc(CC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1261490577 YHPOJHSQCDJOMR-CYBMUJFWSA-N 339.417 -0.379 10 20 EBCD NCC(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1842878698 CRMRFNIBSRXSKT-HWKANZROSA-N 347.371 -0.021 10 20 EBCD CNC(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1 1847765454 CZDZLSARZPMYKJ-QWRGUYRKSA-N 348.359 -0.556 10 20 EBCD Cc1ccc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c(O)c1O 267578116 KEDKLYCWVRFQGK-UHFFFAOYSA-N 347.371 -0.031 10 20 EBCD COc1ccc(N(C)CCN(C)C(=O)C(=O)NCC2CNC2)cc1 846343166 JKIJBQAUDKVXCC-UHFFFAOYSA-N 334.420 -0.075 10 20 EBCD CCOC(=O)c1cnn2c(O)cc(CN(C)[C@@H]3CCNC3=O)nc12 759424978 SZWBRIKMXUJTHN-LLVKDONJSA-N 333.348 -0.068 10 20 EBCD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCO[C@H](CN)C1 842151807 CWMWQUXFKPMBPK-OAHLLOKOSA-N 334.420 -0.137 10 20 EBCD CN(C)S(=O)(=O)N(C)CC(=O)OCC(=O)c1ccc(O)c(O)c1 845198835 CFBUZRWGBSBVAZ-UHFFFAOYSA-N 346.361 -0.438 10 20 EBCD COCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1024287514 WMEPENAQZOIFAN-VXGBXAGGSA-N 349.347 -0.203 10 20 EBCD CCOC(=O)c1cnn2c(O)cc(CN3CCO[C@H](C(N)=O)C3)nc12 51104194 VSHPDZQVBLFELW-NSHDSACASA-N 349.347 -0.702 10 20 EBCD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H]1COCCN1 861751798 ZGFXCYZQDHLHKG-AWEZNQCLSA-N 334.420 -0.218 10 20 EBCD COC(=O)c1cn(CC(=O)OCC(=O)c2ccc(O)c(O)c2)nn1 786551321 UAADIFKJVPCSDA-UHFFFAOYSA-N 335.272 -0.098 10 20 EBCD COc1ccc(CNC[C@@H](O)CNC(=O)Cn2ncnn2)cc1C 1753911201 MLJNIUPWCBMCER-CYBMUJFWSA-N 334.380 -0.743 10 20 EBCD CCOC(=O)c1cnn2c(O)cc(CN[C@@]3(C(N)=O)CCOC3)nc12 847054199 OTSPMPUUWIXLDY-HNNXBMFYSA-N 349.347 -0.654 10 20 EBCD CNC[C@H](C)NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 851691824 MLJYPLHECRDJDX-ZDUSSCGKSA-N 348.447 -0.012 10 20 EBCD C[C@H](C(=O)NCc1c(O)cccc1O)n1cnc(-c2nn[nH]n2)n1 1573731742 YFEKNTMHOVIHBT-SSDOTTSWSA-N 330.308 -0.253 10 20 EBCD O=C(NCCn1cnc(-c2nn[nH]n2)n1)NCc1ccccc1O 1593110535 CFTXJZIOZAYYIV-UHFFFAOYSA-N 329.324 -0.337 10 20 EBCD CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1 843297715 JWLOHGWPVZVVKK-HOCLYGCPSA-N 335.452 -0.032 10 20 EBCD C[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1)S(C)(=O)=O 785425254 ZIPXEAIWUXFXMO-LLVKDONJSA-N 341.433 -0.082 10 20 EBCD Cc1ccc(O)c(CNC(=O)NCCn2cnc(-c3nn[nH]n3)n2)c1 1592186662 VKNOBBFNCPQHIT-UHFFFAOYSA-N 343.351 -0.028 10 20 EBCD C[C@H]1C(=O)NCCN1C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 285820497 XTPNZINXFZFROF-JTQLQIEISA-N 336.367 -0.145 10 20 EBCD COc1cc(C(=O)NC2CN([C@H](C)c3nnnn3C)C2)cc(OC)n1 1030612570 UQENLVXTZNURSK-SECBINFHSA-N 347.379 -0.203 10 20 EBCD CO[C@]1(C(=O)O)CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1599065854 JGURBBRVZWQQHG-MRXNPFEDSA-N 334.328 -0.064 10 20 EBCD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCN1CCNCC1 842153555 MYAGLFIGQIXZOA-UHFFFAOYSA-N 347.463 -0.301 10 20 EBCD COc1cc(C(=O)N[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)cc(OC)n1 941654319 VPADNHWKBZRUTE-SNVBAGLBSA-N 346.347 -0.139 10 20 EBCD CN(Cc1ccccc1O)C(=O)C(=O)NCCCN1C(=O)CNC1=O 1326510981 JMQJNLDRSDTGLM-UHFFFAOYSA-N 348.359 -0.591 10 20 EBCD CC(=O)N1CCN(C(=O)CCNC(=O)c2cccc(O)c2O)CC1 274966181 MGCZRYJMFYMEJM-UHFFFAOYSA-N 335.360 -0.092 10 20 EBCD CN(C)c1ccc(CNC(=O)NCCNS(=O)(=O)N(C)C)cc1 297874190 QOWFMIMBTHSEIB-UHFFFAOYSA-N 343.453 -0.052 10 20 EBCD O=C(COC(=O)c1cccc(O)c1O)N[C@H]1CCS(=O)(=O)C1 1255800822 PTQWGRWZPIAOBH-QMMMGPOBSA-N 329.330 -0.442 10 20 EBCD CN1CCCc2cc(CNC(=O)C(=O)N(CCN)CCO)ccc21 842150006 KYQMZZFJLPBAJP-UHFFFAOYSA-N 334.420 -0.535 10 20 EBCD CNS(=O)(=O)N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 846078412 BMKBHFFWUDGIFQ-HYXAFXHYSA-N 341.389 -0.281 10 20 EBCD CN1CCc2ncnc(N3CC=C(CCNC(=O)C(N)=O)CC3)c2C1 1089862069 MIQZSRZLCOCUCC-UHFFFAOYSA-N 344.419 -0.407 10 20 EBCD COC[C@H](N)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 827468690 CHPLRUQDDXLJMC-ZFWWWQNUSA-N 334.420 -0.022 10 20 EBCD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCN(C)C[C@H]1CN 842154549 USLJDBNGBALOOY-MRXNPFEDSA-N 347.463 -0.221 10 20 EBCD O=C(NCCC1=CCN(c2nccn3nnnc23)CC1)c1cnon1 1089837630 BTWZSGQWWWCLOJ-UHFFFAOYSA-N 341.335 -0.141 10 20 EBCD COc1cc(C(=O)N[C@H]2CCN(CC(=O)N(C)C)C2)cc(OC)n1 1015104885 UUVSHKROUKSFMO-LBPRGKRZSA-N 336.392 -0.009 10 20 EBCD Cc1ccc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(O)c1O 1338369512 YBPPRXJZKNQAQY-SECBINFHSA-N 343.357 -0.134 10 20 EBCD COc1ccc(O)c(CNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)c1 830544657 SLEBECDPUIBFHG-SNVBAGLBSA-N 343.405 -0.068 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)cc1F 842148837 QMEMPBSDSDHOPD-LBPRGKRZSA-N 338.383 -0.388 10 20 EBCD NC(=O)CC(=O)NCCC1=CCN(c2ccc3nnnn3n2)CC1 1089822223 VTEMEAMWNBZLCA-UHFFFAOYSA-N 330.352 -0.963 10 20 EBCD O=S1(=O)C[C@@H](NCc2ccccc2O)[C@H](N2CCOCC2)C1 265216780 FVNSPSSXQUJZOB-ZIAGYGMSSA-N 326.418 -0.020 10 20 EBCD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3=NNC(=O)C3)cc2)C1 732275442 XJPSCPFIWCQIET-GFCCVEGCSA-N 343.387 -0.120 10 20 EBCD COc1ccc(-n2nnnc2CN2C[C@H](CNC(C)=O)[C@@H](O)C2)cc1 957787685 HVYKKBZIJIEESY-WFASDCNBSA-N 346.391 -0.400 10 20 EBCD CN(C)c1ccc([C@H](N)CNC(=O)c2cn(CC(N)=O)nn2)cc1 1118202884 HMNILNJUOZEDMW-GFCCVEGCSA-N 331.380 -0.741 10 20 EBCD Cn1cnc(S(=O)(=O)NCC(=O)NCCc2ccc(N)cc2)c1 237815762 AXQKEMNIXDUCLX-UHFFFAOYSA-N 337.405 -0.361 10 20 EBCD COCC(=O)NCCC1=CCN(c2nccnc2-c2nn[nH]n2)CC1 1579640515 CDPGVSRLADCVAP-UHFFFAOYSA-N 344.379 -0.054 10 20 EBCD COc1cc(C(=O)N[C@H]2CCCN(C(=O)C(N)=O)C2)cc(OC)n1 951851408 NGAKAPNRGPSOMC-JTQLQIEISA-N 336.348 -0.695 10 20 EBCD COc1cc(C(=O)NC2CN(C(=O)c3nc[nH]n3)C2)cc(OC)n1 996369688 YZQGLCKPARNDQG-UHFFFAOYSA-N 332.320 -0.529 10 20 EBCD C[C@@H](CCNC(=O)C(N)=O)NC(=O)c1ccc(N=NC(N)=O)cc1 1078121507 KNHSEMNKHWNARG-QMMMGPOBSA-N 334.336 -0.041 10 20 EBCD O=C(Cn1ncnn1)NCCC1=CCN(c2cc(F)ncn2)CC1 1089845240 QDVNTHJIKJEFRT-UHFFFAOYSA-N 332.343 -0.055 10 20 EBCD COc1ccc(-n2nnnc2CN[C@H](C)CN(C)C(=O)C(N)=O)cc1 1755601964 IRRUCCRBGBNYAM-SNVBAGLBSA-N 347.379 -0.907 10 20 EBCD CC(=O)NCC(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1845990245 GFBSCXPEHPZIDN-UHFFFAOYSA-N 348.359 -0.554 10 20 EBCD COc1ccc(N2CCN(C[C@H](O)CNC3(C(N)=O)CC3)CC2)cc1 754249558 UTJMQJGORFHCPC-OAHLLOKOSA-N 348.447 -0.214 10 20 EBCD CC(=O)C(=O)COC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 808483319 QJVMKWKDTCZJPM-LBPRGKRZSA-N 335.291 -0.053 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)N2CCC(O)(CO)CC2)cc1 1327898611 BPAYNQLFZYUSOK-UHFFFAOYSA-N 335.404 -0.285 10 20 EBCD Cc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c(O)c1O 780881451 CWJLJCYTXAEZDI-UHFFFAOYSA-N 343.405 -0.030 10 20 EBCD COc1cc(C(=O)NC2CN(C(=O)c3cnnn3C)C2)cc(OC)n1 996369362 UTGKLJPJWGVLGW-UHFFFAOYSA-N 346.347 -0.518 10 20 EBCD COCCN1C(=O)/C(=C\NNc2ncncc2F)C(=O)NC1=S 292100244 ZGQMGCBCFLTOIS-DAXSKMNVSA-N 340.340 -0.694 10 20 EBCD COc1ccc(O)c(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 821838486 OEDGIANQDCYCSB-UHFFFAOYSA-N 330.308 -0.511 10 20 EBCD COc1ccc(CNC(=O)NCCOCCS(N)(=O)=O)c(O)c1 854139875 PMLKBFQHVAPOBN-UHFFFAOYSA-N 347.393 -0.495 10 20 EBCD NC[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCO1 842171215 QGDTWIGYUHXOBG-INIZCTEOSA-N 344.415 -0.135 10 20 EBCD O=C1NC[C@H](C(=O)NCCC2=CCN(c3cc(F)ncn3)CC2)N1 1089860376 CNQLYQCHLAZMCV-LLVKDONJSA-N 334.355 -0.060 10 20 EBCD N[C@H]1CCN(C(=O)C(=O)C(=O)C(=O)N2CC[C@@H](c3cccnc3)C2)C1 1327002738 MAQCNLBHPNPPAO-OLZOCXBDSA-N 344.371 -0.905 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)NCC(=O)O)c1 820894416 QHIVQBFGVKXVLI-UHFFFAOYSA-N 346.317 -0.879 10 20 EBCD COc1ccc(-n2nnnc2CN2C[C@H](O)[C@H](CNC(C)=O)C2)cc1 957787681 HVYKKBZIJIEESY-DOMZBBRYSA-N 346.391 -0.400 10 20 EBCD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)NC1CNC1 842216695 NELKRCYHCNBWQY-UHFFFAOYSA-N 334.445 -0.056 10 20 EBCD COc1ccc(-n2nnnc2CNCCNC(=O)[C@@H](C)OC)cc1 1124287713 JIFOSPYGWATEEH-LLVKDONJSA-N 334.380 -0.088 10 20 EBCD COc1ccc(N2CCN(C[C@H](O)CN[C@@H](C)C(N)=O)CC2)cc1 1335367996 OJINXQZNYJMJKG-DZGCQCFKSA-N 336.436 -0.359 10 20 EBCD COc1ccc(-n2nnnc2CN2C[C@@H](O)[C@@H](CNC(C)=O)C2)cc1 957787683 HVYKKBZIJIEESY-SWLSCSKDSA-N 346.391 -0.400 10 20 EBCD CN(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(N)cc1 863557942 YEWSZSZGEZMKKA-NSHDSACASA-N 340.405 -0.282 10 20 EBCD CN1CCN(c2ccc(CNC(=O)C(=O)NCCCCN)cc2)CC1 1333958028 FYNDVRXLDTWSID-UHFFFAOYSA-N 347.463 -0.090 10 20 EBCD CCOC(=O)c1cnn2c(O)cc(CN(CCO)C[C@@H](C)O)nc12 289884490 ROEHZWNTADZDBV-SNVBAGLBSA-N 338.364 -0.213 10 20 EBCD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N3)cc2)C1 822937705 LDECSWGLCQZBFA-OCCSQVGLSA-N 330.388 -0.107 10 20 EBCD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](OC)C(=O)O 1573900707 CSWNKRGMHCGOJM-CABZTGNLSA-N 341.316 -0.212 10 20 EBCD COc1ccc(N2CCN(C(=O)CN3C(=O)CNC3=O)CC2)cc1 74687957 VLIAYBNDSPMAGG-UHFFFAOYSA-N 332.360 -0.104 10 20 EBCD CCN1C[C@H](CNC(=O)C(=O)NCCc2ccc(N)cc2)CC1=O 846345464 XIVYNBZKRZPXAU-ZDUSSCGKSA-N 332.404 -0.088 10 20 EBCD CN(CCCNC(=O)C(=O)Nc1ccc(N)cc1)S(C)(=O)=O 850830918 NCJLELCIYBAAFF-UHFFFAOYSA-N 328.394 -0.395 10 20 EBCD CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N3)cc2)CC1 832794885 SETGUXTZUJDYNH-HNNXBMFYSA-N 330.388 -0.140 10 20 EBCD CN(C)CCN(CCN(C)C)C(=O)C(=O)NCCc1ccc(N)cc1 842238820 ZDYZUSVIIDZLOE-UHFFFAOYSA-N 349.479 -0.121 10 20 EBCD CC(=O)N1C[C@H]2CN(C(=O)C(=O)NCCc3ccc(N)cc3)C[C@H]2C1 1331165140 MZXGWOBADAMREV-GASCZTMLSA-N 344.415 -0.136 10 20 EBCD COc1ccc(-n2nnnc2CNCCNC(=O)[C@H]2CCOC2)cc1 1124503088 VVUZVDKHSBOCRS-LBPRGKRZSA-N 346.391 -0.087 10 20 EBCD COc1ccc(N2CCN(C(=O)Cn3cnn(C)c3=O)CC2)cc1 271157732 NRYRVGRMARDMPZ-UHFFFAOYSA-N 331.376 -0.061 10 20 EBCD O=C(/C=C\c1ccc(O)c(O)c1)NCC(=O)NCCN1CCOCC1 779483789 IQSJPUCQCDPKBZ-RQOWECAXSA-N 349.387 -0.324 10 20 EBCD COc1ccc(N2CCN(C(=O)CN(CCN)CCO)CC2)cc1 844222613 IMSOCTNGQLONDC-UHFFFAOYSA-N 336.436 -0.403 10 20 EBCD CONC(=O)CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 1333343017 UARUMODILGSGPP-UHFFFAOYSA-N 332.360 -0.527 10 20 EBCD CN(C)C(=O)Cn1cc(NC(=O)C(=O)NCc2ccccc2O)cn1 1340244405 FLWSOFMQZGSQCL-UHFFFAOYSA-N 345.359 -0.068 10 20 EBCD CN1C(=O)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1=O 774293529 SJGQEWPCOAADKE-UHFFFAOYSA-N 341.345 -0.796 10 20 EBCD COC[C@]1(C(=O)O)CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 1593974675 OGWGJSOCUZAKMY-HNNXBMFYSA-N 325.317 -0.031 10 20 EBCD CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)Cc1ccc(O)c(O)c1)C(=O)O 1599762288 CNCVUKDLURQNET-SMDDNHRTSA-N 343.357 -0.356 10 20 EBCD CN(C)c1ccc([C@H](N)CNC(=O)CN2CCCS2(=O)=O)cc1 832281980 WUPLDFZVCMWMDZ-CQSZACIVSA-N 340.449 -0.096 10 20 EBCD Cc1ccc(O)c(CNC(=O)CN2CCN(S(C)(=O)=O)CC2)c1 862757916 IDUYKDKLHXVFPC-UHFFFAOYSA-N 341.433 -0.106 10 20 EBCD CN(C)c1ccc([C@@H](N)CNC(=O)CN(C)S(C)(=O)=O)cc1 832280625 PLXINGRBBDJUTG-ZDUSSCGKSA-N 328.438 -0.240 10 20 EBCD COc1cc(C(=O)NC2CN([C@@H]3CCN(C)C3=O)C2)cc(OC)n1 1030614102 BTPBWIMPSOWEKK-GFCCVEGCSA-N 334.376 -0.257 10 20 EBCD COc1ccc(N2CCN(CCNC(=O)[C@H]3COCCN3)CC2)cc1 269288988 JWLDQQYTBXORCD-QGZVFWFLSA-N 348.447 -0.078 10 20 EBCD COCCN(CCN(C)C)C(=O)C(=O)NCCc1ccc(N)cc1 842235495 GVHLZKXNQCRVHV-UHFFFAOYSA-N 336.436 -0.036 10 20 EBCD CO[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1082391276 CKYTYWDKDCSEBO-VXGBXAGGSA-N 348.363 -0.237 10 20 EBCD Cc1cc(N2CC=C(CCNC(=O)CNC(N)=O)CC2)nc(CO)n1 1089804263 ANJOPQQQINUHCD-UHFFFAOYSA-N 348.407 -0.412 10 20 EBCD CN(CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O)CC(=O)O 1606130460 DICOZYLWZPEVGD-UHFFFAOYSA-N 345.377 -0.490 10 20 EBCD Cc1ccc(C(=O)NCCNS(=O)(=O)NC(C)C)c(O)c1O 277668217 VUHIGURMRTXJBE-UHFFFAOYSA-N 331.394 -0.032 10 20 EBCD CCN1CCC[C@@H]1CN/C=C1/C(=O)NC(=S)N(CCOC)C1=O 299252310 DEZNQLVDBIRJTE-JPQYHBGPSA-N 340.449 -0.166 10 20 EBCD COc1cc(C(=O)NC2CN(C(=O)Cn3cccn3)C2)cc(OC)n1 996367801 FNJSHKOFMWFLAD-UHFFFAOYSA-N 345.359 -0.064 10 20 EBCD CCONC(=O)CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 1346357336 IFUXMJAYKFILDT-UHFFFAOYSA-N 340.355 -0.308 10 20 EBCD COC(=O)[C@@]1(CNC(=O)Cc2ccc(N)cc2)C[C@@H]1S(C)(=O)=O 1578841067 UOJLZAWXZKNBBR-SWLSCSKDSA-N 340.401 -0.096 10 20 EBCD Cn1[nH]c(CNCCNC(=O)c2ccc(N=NC(N)=O)cc2)nc1=O 1153047346 BLPNICIEMMTFTH-UHFFFAOYSA-N 346.351 -0.210 10 20 EBCD COc1cccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1O 821867391 FDHAMWQUJTUATO-UHFFFAOYSA-N 330.308 -0.511 10 20 EBCD C[C@H](NC[C@@]1(CO)COCCN1C)c1cccc(-c2nn[nH]n2)c1O 1603658369 STOYGHGBFVMRGH-MEDUHNTESA-N 348.407 -0.084 10 20 EBCD CNS(=O)(=O)[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 768463343 RPMZTHQXZYNBMS-ZWNOBZJWSA-N 328.390 -0.059 10 20 EBCD O=C(NC[C@@H]1C[C@H]2C=C[C@H]1CC2)C(=O)C(=O)C(=O)N[C@@H]1CCCNC1 1118118607 IUFUMIXKZWJAQB-XDQVBPFNSA-N 347.415 -0.289 10 20 EBCD O=C(NC[C@@H]1CCCN1)C(=O)C(=O)C(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2 1118118609 IVBQGINMQPOKDM-FQUUOJAGSA-N 347.415 -0.289 10 20 EBCD O=C(O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(O)c1O 388517916 IOOJLUPBTMZQRE-QMMMGPOBSA-N 329.330 -0.188 10 20 EBCD CN(C)c1ccc([C@H](N)CNC(=O)c2nc(O)nc(O)c2N)cc1 843296812 GOEGZRZJMBOODJ-SNVBAGLBSA-N 332.364 -0.034 10 20 EBCD COc1cc(C(=O)NC2CN(C(=O)[C@@H]3CCNC3=O)C2)cc(OC)n1 996368785 NAWJCYZZCJESKF-LLVKDONJSA-N 348.359 -0.825 10 20 EBCD CNC(=O)NCC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 761145839 MWUNBRJSTGMBBH-CYBMUJFWSA-N 347.419 -0.067 10 20 EBCD CNS(=O)(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 285349341 ZDZQFWDJTRDNGM-UHFFFAOYSA-N 328.438 -0.129 10 20 EBCD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCN1CCNCC1 842227054 WVIIDWQYDAYIMW-UHFFFAOYSA-N 347.463 -0.268 10 20 EBCD O=C(O)CN(CCN1CCOCC1)C(=O)Cc1ccc(O)c(O)c1 1602054852 HNMUDKJVPAPWHG-UHFFFAOYSA-N 338.360 -0.114 10 20 EBCD CCN1CCN(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)C(=O)C1=O 274978722 WYQISQWQLOAFFV-NSHDSACASA-N 349.387 -0.164 10 20 EBCD CN(C)c1ccc(CNC(=O)CN2CCOC[C@@]2(CN)CO)cc1 886844740 NGIVXFNFCMMVRJ-QGZVFWFLSA-N 336.436 -0.609 10 20 EBCD CNS(=O)(=O)CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 856211613 XAMVBBTVGANHPZ-UHFFFAOYSA-N 341.433 -0.187 10 20 EBCD NC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1078253842 VIDDDNRFHQISTM-GHMZBOCLSA-N 334.336 -0.891 10 20 EBCD O=C(Cn1cc(-c2nn[nH]n2)c(O)nc1=O)NCc1ccccc1O 1592936007 TURUHDIPPGNPSN-UHFFFAOYSA-N 343.303 -0.849 10 20 EBCD CCN(CC(=O)NC)C(=O)c1cc(NS(C)(=O)=O)ccc1O 763806012 OIUXEBNLDJRQFB-UHFFFAOYSA-N 329.378 -0.028 10 20 EBCD CN(C)S(=O)(=O)N1CCN(C(=O)c2cccc(O)c2O)CC1 790525550 IDSDIFDVCWSTLB-UHFFFAOYSA-N 329.378 -0.338 10 20 EBCD CN(C)c1ccc(CNC(=O)Cn2cnc3c(nnn3C)c2=O)cc1 842587916 HYZYIQHPVDUAPF-UHFFFAOYSA-N 341.375 -0.093 10 20 EBCD CN(C)c1ccc([C@H](N)CNS(=O)(=O)N2CCOCC2)cc1 842785671 JUUHJXMRHMTCIG-CQSZACIVSA-N 328.438 -0.081 10 20 EBCD COc1ccc(N2CCN(C[C@H](O)CNC[C@@H](O)CO)CC2)cc1 843064234 XHZKJNFMCVVQRC-HZPDHXFCSA-N 339.436 -0.879 10 20 EBCD COc1ccc(N2CCN(C(=O)CN3C[C@@H](O)[C@H](O)C3)CC2)cc1 278936437 XSZZKERHHWUFNF-HZPDHXFCSA-N 335.404 -0.619 10 20 EBCD CCN1CCN(CC(=O)NCCc2ccc(O)c(O)c2)C(=O)C1=O 270536779 HYECBEKMCDKYTI-UHFFFAOYSA-N 335.360 -0.553 10 20 EBCD CS(=O)(=O)N1CCN(CCNC(=O)Cc2ccc(N)cc2)CC1 746319223 FCGLOFVVTUTNHS-UHFFFAOYSA-N 340.449 -0.495 10 20 EBCD NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)cc1 958732735 QBKSYGPKZGZSMB-AAEUAGOBSA-N 335.364 -0.136 10 20 EBCD COc1ccc(N2CCN(C(=O)CN3C[C@@H](CO)[C@@H](O)C3)CC2)cc1 839170991 WVLWEHYUIWXMDW-YOEHRIQHSA-N 349.431 -0.371 10 20 EBCD CONC(=O)Cn1nnnc1N(C)CCN(C)c1ccc(OC)cc1 1120187575 ARYMNHSPUXSTED-UHFFFAOYSA-N 349.395 -0.068 10 20 EBCD NCC(=O)NCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 1329254171 WQUKOXFOZKCGJO-UHFFFAOYSA-N 338.383 -0.522 10 20 EBCD COC(=O)C1(NC(=O)c2cccc(O)c2O)CCS(=O)(=O)CC1 800683925 KPPKWEGNOVJBRT-UHFFFAOYSA-N 343.357 -0.052 10 20 EBCD COc1ccc(N2CCN(CCCNC(=O)CNCCN)CC2)cc1 1219962675 FGAJCLYAEZSXES-UHFFFAOYSA-N 349.479 -0.128 10 20 EBCD COCCS(=O)(=O)CC(=O)OCC(=O)c1ccc(O)c(O)c1 782914109 PFPWKGBZTMLSQT-UHFFFAOYSA-N 332.330 -0.115 10 20 EBCD CS(=O)(=O)NC(=O)CCNC(=O)/C=C\c1ccc(O)c(O)c1 800549491 LRVJBFYBRKOMET-HYXAFXHYSA-N 328.346 -0.307 10 20 EBCD Nc1ccc(CCNC(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)cc1 851687991 NSRFMGUZVPYCSO-MRXNPFEDSA-N 346.431 -0.139 10 20 EBCD NC(=O)N=Nc1ccc(C(=O)N2C[C@@H]3C(NC(=O)C(N)=O)[C@H]3C2)cc1 1013684450 VDBFNNOSGDQOBW-UWVGGRQHSA-N 344.331 -0.479 10 20 EBCD CC(C)(O)CN1CCN(C(=O)C(=O)NCCc2ccc(N)cc2)CC1 842237393 UKSQNABXIQWDMD-UHFFFAOYSA-N 348.447 -0.157 10 20 EBCD COc1ccc(CNC[C@H](O)CNC(=O)[C@H]2COCCO2)cc1C 1753906096 PUZHUATXYFXIGK-GOEBONIOSA-N 338.404 -0.014 10 20 EBCD CN1C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1=O 263820486 UOSLUWJIEQHECE-VIFPVBQESA-N 327.362 -0.276 10 20 EBCD CC(=O)NCC(=O)NCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1 832281086 SDNXCQIQNMTTDG-AWEZNQCLSA-N 335.408 -0.879 10 20 EBCD Cn1cnn(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1=O 153957052 KKRMXMRHARZTEX-UHFFFAOYSA-N 349.366 -0.126 10 20 EBCD NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)C2)cc1 942308431 UIEICIYULWQENF-SNVBAGLBSA-N 332.320 -0.335 10 20 EBCD O=C(Cn1ncnn1)NCCC1=CCN(c2cnc(F)cn2)CC1 1089845049 NNBVAMFXAWKGQT-UHFFFAOYSA-N 332.343 -0.055 10 20 EBCD C[C@@H](NC(=O)c1cccc(O)c1O)C(=O)N1CCS(=O)(=O)CC1 274929930 ANDDJKBKODWKCL-SECBINFHSA-N 342.373 -0.527 10 20 EBCD Cn1nnc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)n1 787854278 SNLHCVGWIHLOLU-UHFFFAOYSA-N 326.338 -0.783 10 20 EBCD COc1ccc(N2CC[C@@H](CNC(=O)C(=O)NCC3CNC3)C2)cc1 818677191 QWVOAYILPCEMGE-ZDUSSCGKSA-N 346.431 -0.027 10 20 EBCD CS(C)(=O)=NS(=O)(=O)CCNC(=O)Cc1ccc(N)cc1 1579357785 NMYHDKHMKRHKAW-UHFFFAOYSA-N 333.435 -0.015 10 20 EBCD CNS(=O)(=O)NC1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 846644919 YEVDRJPRVPVIQT-UHFFFAOYSA-N 347.368 -0.105 10 20 EBCD O=C(O)CCNC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1333532225 NXJXEJVCHXYQOD-UHFFFAOYSA-N 349.387 -0.145 10 20 EBCD NS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cccc(O)c1O 854839217 FKNNMDNBGBUYJI-SECBINFHSA-N 329.378 -0.114 10 20 EBCD NC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccc(N=NC(N)=O)cc3)[C@H]2C1 962969228 DMGOSMQKSSBQAQ-PJXYFTJBSA-N 330.348 -0.006 10 20 EBCD COc1ccc(CNCCNC(=O)CN2C(=O)CNC2=O)cc1C 1150340115 XGPKMWQOXYXJHP-UHFFFAOYSA-N 334.376 -0.239 10 20 EBCD COc1ccc(N(CC(=O)O)CC(=O)N[C@@H]2CCN(C)C2=O)cc1 853005023 DSVNQWVHFDQWLU-CYBMUJFWSA-N 335.360 -0.067 10 20 EBCD COCC(=O)NCCC1=CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 1591368089 INURUMHNBGNVMH-UHFFFAOYSA-N 344.379 -0.054 10 20 EBCD CN(Cc1ccccc1O)C(=O)NCCNS(=O)(=O)N(C)C 854109390 GPXGVHBGJONQDH-UHFFFAOYSA-N 330.410 -0.070 10 20 EBCD CCOCCS(=O)(=O)NCC(=O)NCCc1ccc(N)cc1 262581552 PXNKXODULQTRHH-UHFFFAOYSA-N 329.422 -0.117 10 20 EBCD Cc1ccc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c(O)c1O 272740406 IJBAKMSLNOGTSF-UHFFFAOYSA-N 346.347 -0.623 10 20 EBCD C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 832282303 YNQJPNRXXKXLMO-MFKMUULPSA-N 328.438 -0.194 10 20 EBCD Nc1nc(C(=O)NCc2ccc(O)c(O)c2)nc(N2CCOCC2)n1 845835292 ZEVMFJQCPPSRMF-UHFFFAOYSA-N 346.347 -0.368 10 20 EBCD Nc1ccc(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 237890869 ZFEZSNVFFDOKAG-UHFFFAOYSA-N 346.431 -0.186 10 20 EBCD CNS(=O)(=O)[C@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 768463335 RPMZTHQXZYNBMS-GXFFZTMASA-N 328.390 -0.059 10 20 EBCD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CC(=O)N3)cc2)C1 822937706 LDECSWGLCQZBFA-TZMCWYRMSA-N 330.388 -0.107 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCC(=O)NC2=O)c1 270786829 UJVFFECANZUSFK-SECBINFHSA-N 341.345 -0.701 10 20 EBCD COCCCS(=O)(=O)NCC(=O)NCc1ccc(OC)cc1O 794376810 BOJLHNSZDJNRQC-UHFFFAOYSA-N 346.405 -0.027 10 20 EBCD CN(C)c1ccc([C@@H](N)CNC(=O)c2cn(C)c(=O)nc2O)cc1 832300579 ZMFKCGPRMCBWSS-ZDUSSCGKSA-N 331.376 -0.018 10 20 EBCD COc1cc(C(=O)NC2CCN(C(=O)C(N)=O)CC2)cc(OC)n1 948072361 PMIPBMPUZHBDIP-UHFFFAOYSA-N 336.348 -0.695 10 20 EBCD CCC(=O)N(C)C[C@@H](O)CNCc1nnnn1-c1ccc(OC)cc1 1755769500 FEVNFXYOYUYFGV-ZDUSSCGKSA-N 348.407 -0.010 10 20 EBCD CC(=O)N[C@@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)C(N)=O 347738649 VFGLFCKBXISCJE-LBPRGKRZSA-N 334.376 -0.142 10 20 EBCD Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NCc1ccccc1O 816912178 NIGVIHANJPLGAM-UHFFFAOYSA-N 337.357 -0.123 10 20 EBCD C[C@H](NC(=O)C(=O)NC1CNC1)c1ccc(N2CCOCC2)cc1 842123554 PANUDFCNKZKMNA-LBPRGKRZSA-N 332.404 -0.212 10 20 EBCD CN1CCCc2cc(CNC(=O)C(=O)NC[C@H]3CNCCO3)ccc21 842150396 QXAWNDLIJLQYBK-OAHLLOKOSA-N 346.431 -0.210 10 20 EBCD CCOC(=O)c1cnn2c(O)cc(CN3CC[C@](O)(C(N)=O)C3)nc12 276483633 STBLQCWZZBEILJ-OAHLLOKOSA-N 349.347 -0.966 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCNC(=O)C2)c1 726801259 WXVICCQOYOBDKT-UHFFFAOYSA-N 327.362 -0.274 10 20 EBCD O=C1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CCN1 284331914 XBWDQROBUCIZRS-UHFFFAOYSA-N 330.388 -0.139 10 20 EBCD CN(C)c1ccc2c(c1)OCCN2C(=O)Cn1cnc(C(N)=O)n1 649788664 BWXVUPFQROMANK-UHFFFAOYSA-N 330.348 -0.131 10 20 EBCD CN(C)c1ccc2c(c1)OCCN2C(=O)c1cn(CC(N)=O)nn1 356017546 XLLWYXIANWVZNO-UHFFFAOYSA-N 330.348 -0.131 10 20 EBCD COc1cc(O)c(CN2CCN3C(=O)C(=O)NC[C@H]3C2)cc1OC 271756135 CUYZMCLWHDROGR-NSHDSACASA-N 335.360 -0.448 10 20 EBCD CCOC(=O)c1cnn2c(O)cc(CN3C[C@@H](O)[C@H](OC)C3)nc12 832007391 LMHXQACKMYBILZ-VXGBXAGGSA-N 336.348 -0.197 10 20 EBCD O=C(Cn1ccc(=O)[nH]c1=O)NCc1ccc(N2CCOCC2)cc1 56199069 IJBSVECSZJQXDE-UHFFFAOYSA-N 344.371 -0.310 10 20 EBCD CC(C)CN1C(=O)/C(=C\NNS(=O)(=O)C(C)C)C(=O)NC1=S 749969776 XHLGOAVAARTETE-UITAMQMPSA-N 348.450 -0.398 10 20 EBCD 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-0.054 10 20 EBCD COc1ccc(N2CC[C@@H](CNC(=O)C(=O)NC3CNC3)C2)cc1 818678592 YCMZRZXUTKHXJR-LBPRGKRZSA-N 332.404 -0.274 10 20 EBCD COCC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)O 1599216100 JCZWZTLDNRVFHT-JTQLQIEISA-N 346.361 -0.017 10 20 EBCD Cn1c(O)nc(NCc2c(O)cccc2O)c(-c2nn[nH]n2)c1=O 1581747277 GGTXRWWXTJSCPV-UHFFFAOYSA-N 331.292 -0.311 10 20 EBCD Cn1nnnc1CN1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1031464724 YUYOZOWSMRQKTK-UHFFFAOYSA-N 343.351 -0.013 10 20 EBCD COc1ccc(N2CCN(CCNC(=O)[C@H]3C[C@@H](O)CN3)CC2)cc1 269286213 IPGKRWSEEKJMEA-NVXWUHKLSA-N 348.447 -0.344 10 20 EBCD CNCCNC(=O)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 818677770 VMPUAMWKQOFAGG-ZDUSSCGKSA-N 334.420 -0.027 10 20 EBCD O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)NC(CO)CO 838747189 OCCJORLIAHIBOO-UHFFFAOYSA-N 345.346 -0.046 10 20 EBCD COc1cccc(CNC(=O)Cn2cc(S(N)(=O)=O)cn2)c1O 729859683 VZZCLZRCNPEHHI-UHFFFAOYSA-N 340.361 -0.439 10 20 EBCD C[C@H](CCN)NC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 884703877 NQNUYBQBYLJXAA-CQSZACIVSA-N 347.463 -0.092 10 20 EBCD C[C@H](O)CN(C)C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 788317987 CBNLZQYTBCNYQE-ZDUSSCGKSA-N 335.404 -0.021 10 20 EBCD CN(C)S(=O)(=O)N1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 825427943 QKJQEYQKGIXRCB-UHFFFAOYSA-N 347.368 -0.199 10 20 EBCD C[C@@H](CN)N(C)C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 885210208 MNZKEVPHLTULSB-AWEZNQCLSA-N 347.463 -0.140 10 20 EBCD CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1cccc(O)c1O)C(=O)O 1607377127 YLZRRWMUGXXDNX-TVQRCGJNSA-N 329.330 -0.285 10 20 EBCD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CC(=O)N1 1118754546 JVVDATRZBPGTOL-QWRGUYRKSA-N 336.344 -0.033 10 20 EBCD CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](N)CC(=O)O)cc2)CC1 1609603162 FYTNYFBGSMIWTK-HNNXBMFYSA-N 348.403 -0.227 10 20 EBCD C[C@@H](NC=O)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250644 VYSGTHZZKZQDBL-SNVBAGLBSA-N 348.359 -0.556 10 20 EBCD COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)NCc1ccc(N(C)C)cc1 298427033 GEIGDNKPPOASQS-CABCVRRESA-N 335.404 -0.023 10 20 EBCD CN(C)c1ccc(CNC(=O)CN2CCOC[C@@H]2CC(N)=O)cc1 839617252 ZTUMVNJZRWSOEA-HNNXBMFYSA-N 334.420 -0.055 10 20 EBCD CNS(=O)(=O)N1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 846078410 BMKBHFFWUDGIFQ-HWKANZROSA-N 341.389 -0.281 10 20 EBCD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)NC1CNC1 842236828 WEAKHDWAXXUJJK-UHFFFAOYSA-N 332.404 -0.430 10 20 EBCD CN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 1323887086 ZXIFXOTUECTGLU-DGCLKSJQSA-N 335.360 -0.500 10 20 EBCD Cn1cnc2c(N3CC=C(CCNC(=O)CC(N)=O)CC3)ncnc21 1089822206 VDEKYZWUGUROHC-UHFFFAOYSA-N 343.391 -0.119 10 20 EBCD CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccn(C)n2)ccc1O 790407436 LSJDEOGRLFRNRX-UHFFFAOYSA-N 346.390 -0.165 10 20 EBCD CN1CCCc2cc(CNC(=O)C(=O)N3C[C@@H](CO)[C@@H](O)C3)ccc21 817812025 UGZZPPOPSPPENZ-HOCLYGCPSA-N 347.415 -0.503 10 20 EBCD COc1ccc(O)c(CNC(=O)CN(C)S(=O)(=O)N(C)C)c1 845834076 QGLHOQWAABUIJE-UHFFFAOYSA-N 331.394 -0.245 10 20 EBCD Cn1nnc(CNCCNC(=O)c2ccc(N=NC(N)=O)cc2)n1 1153047638 IMWVTCOIQPOZRL-UHFFFAOYSA-N 331.340 -0.108 10 20 EBCD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCNC1=O 1334371895 HALIAFAVHSNYIX-MNOVXSKESA-N 336.344 -0.176 10 20 EBCD CC(=O)N1CCN(c2ccc(CNC(=O)CNCCN)cc2)CC1 1357601171 VTNVNDQEHWEGGX-UHFFFAOYSA-N 333.436 -0.480 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2nc(O)n[nH]2)c1 748418396 KOWUXFZRNXRSFM-UHFFFAOYSA-N 327.322 -0.483 10 20 EBCD O=C(NC1CC1)C(=O)N1CCN(C(=O)c2cccc(O)c2O)CC1 274916425 WGARBSHRTSMXII-UHFFFAOYSA-N 333.344 -0.339 10 20 EBCD COC(=O)C1=S=C(NC(=O)c2ccnc3c(C(N)=O)cnn23)C=C1 590536674 ZUWOYRWNFNPRPZ-UHFFFAOYSA-N 345.340 -0.664 10 20 EBCD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCNC1=O 1334371896 HALIAFAVHSNYIX-QWRGUYRKSA-N 336.344 -0.176 10 20 EBCD CCN[C@H](C)CNC(=O)C(=O)C(=O)C(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2 1331823097 UOCRYNOEZVKKCN-ZOBORPQBSA-N 349.431 -0.043 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cc1 1325392294 MWLXTEQJXGQLEC-KGLIPLIRSA-N 348.403 -0.482 10 20 EBCD CNC[C@@H](C)NC(=O)C(=O)C(=O)C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2 1327534113 YPIQLXDAINCQHI-VOAKCMCISA-N 335.404 -0.433 10 20 EBCD C[C@H](N)CNC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1261633689 MUAKXVHZEWBDNQ-LBPRGKRZSA-N 334.420 -0.273 10 20 EBCD CS(=O)(=O)NCCNC(=S)NCCc1ccc(O)c(O)c1 727065490 TXSIDAHBANCDBR-UHFFFAOYSA-N 333.435 -0.346 10 20 EBCD COc1cccc(CNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)c1O 830541172 UCAFFZCPUGRIGE-LLVKDONJSA-N 343.405 -0.068 10 20 EBCD COc1cc(C(=O)N[C@H]2C[C@H](C)N(C(=O)C(N)=O)C2)cc(OC)n1 1013960275 UMPLEHQYGUQFLJ-WPRPVWTQSA-N 336.348 -0.697 10 20 EBCD COCCN1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)CC1=O 1325826109 RTIJOHBYQAMIHQ-UHFFFAOYSA-N 349.387 -0.332 10 20 EBCD COc1ccc(N(C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 844352744 GAMDGPZTBAYYEQ-UHFFFAOYSA-N 332.360 -0.006 10 20 EBCD Cn1cnn(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1=O 856211836 ATIBDXCPDWFEKK-UHFFFAOYSA-N 345.403 -0.141 10 20 EBCD CN(Cc1ccc(N(C)C)cc1)C(=O)CN(CCN)C[C@H](O)CO 852753635 FHBOBTWCOKIGBZ-INIZCTEOSA-N 338.452 -0.675 10 20 EBCD CC(C)[C@@H](N)CNC(=O)C(=O)C(=O)C(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2 1325745415 YKVIFEYQBUTADS-FQUUOJAGSA-N 349.431 -0.057 10 20 EBCD COCCOCCCN/C=C1/C(=O)NC(=S)N(CCOC)C1=O 52529274 CZQSDWPUCFGCOW-KHPPLWFESA-N 345.421 -0.597 10 20 EBCD Cc1cc(C(=O)N(CC(N)=O)CC(N)=O)c(C)n1-c1ccccn1 113167126 SNUYIVRXHJLKSJ-UHFFFAOYSA-N 329.360 -0.098 10 20 EBCD CN(C)C(=O)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O 55285245 SIEOGIWCSDRWKM-UHFFFAOYSA-N 329.378 -0.028 10 20 EBCD CN(C)S(=O)(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 726976776 OXLWLIZWZWTLGZ-UHFFFAOYSA-N 347.462 -0.183 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)N2CCO[C@@H](CN)C2)cc1F 842149033 SWHAQBZGOGCEPL-LBPRGKRZSA-N 338.383 -0.306 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 1321594024 SEPRTBNJBYWEIC-CQSZACIVSA-N 345.403 -0.395 10 20 EBCD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cnn[nH]1 918337217 GWFZRIAKZKPUEJ-UHFFFAOYSA-N 335.389 -0.031 10 20 EBCD Cn1cc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)nn1 809616253 TWZFQRVKEQYRIG-UHFFFAOYSA-N 349.416 -0.020 10 20 EBCD C[C@@H]1CNCCN1C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 842190185 BPJCAMXLDXVDBI-CQSZACIVSA-N 346.431 -0.040 10 20 EBCD C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1NC(=O)C(N)=O 966533406 JCRYDEOBUPSSSP-KWQFWETISA-N 346.347 -0.089 10 20 EBCD COc1ccc(N2CCN(CCNC(=O)[C@H]3CNCCO3)CC2)cc1 269309374 VRVSNXZQWLLTQF-QGZVFWFLSA-N 348.447 -0.078 10 20 EBCD COC(=O)[C@@](C)(O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O 763280690 SSKLGXRUMYJXDT-ZDUSSCGKSA-N 346.361 -0.583 10 20 EBCD CC(=O)NCCN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O 844026142 QUNFOKNYBMJOMS-UHFFFAOYSA-N 329.378 -0.028 10 20 EBCD COC[C@H](N)C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 832173634 SUGCYNYOZFLLQR-INIZCTEOSA-N 334.420 -0.055 10 20 EBCD COc1ccc(N2CCN(C(=O)Cn3cc(C(N)=O)nn3)CC2)cc1 772933219 MLHQCCRJCFOBBU-UHFFFAOYSA-N 344.375 -0.266 10 20 EBCD COc1cc(C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)C2)cc(OC)n1 951851409 NGAKAPNRGPSOMC-SNVBAGLBSA-N 336.348 -0.695 10 20 EBCD COc1cc(C(=O)NC2CN([C@@H](C)C(=O)N(C)C)C2)cc(OC)n1 1030615182 ZETWGFIIAJNNCH-JTQLQIEISA-N 336.392 -0.011 10 20 EBCD O=C(O)C[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(O)c(O)c1 1601963679 DVEKIRPPJDTFJQ-SNVBAGLBSA-N 343.357 -0.259 10 20 EBCD C[C@H]1CO[C@H](CO)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 770022261 BUKNIGOMGFKMMQ-ONGXEEELSA-N 344.389 -0.015 10 20 EBCD CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2CNCCO2)cc1F 842148836 QMEMPBSDSDHOPD-GFCCVEGCSA-N 338.383 -0.388 10 20 EBCD NC(=O)N=Nc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)C(N)=O)C2)cc1 979962688 NGNOKKXBYAZENA-JLIMDTESSA-N 346.347 -0.041 10 20 EBCD COc1ccc(CNC[C@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)cc1C 1753927674 OKHIZWPNGXWDKN-MJBXVCDLSA-N 335.404 -0.308 10 20 EBCD COc1ccc(N2CCN(C(=O)Cn3cnc(C(N)=O)n3)CC2)cc1 844282536 WDXLNAIPXHUPBX-UHFFFAOYSA-N 344.375 -0.266 10 20 EBCD NC(=O)N=Nc1ccc(C(=O)NC2[C@@H]3CN(C(=O)C(N)=O)C[C@@H]23)cc1 1013288846 FHAHHCYBIPLZMC-NXEZZACHSA-N 344.331 -0.479 10 20 EBCD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC(=O)N1 1320693271 XMXLCJFSAJHFKV-QWRGUYRKSA-N 336.344 -0.033 10 20 EBCD C[C@@H](O)CN(C(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@H](C)CO 283426443 JBYANQHTXSUGJL-CHWSQXEVSA-N 337.420 -0.041 10 20 EBCD CN1C(=O)C(=O)N(CC(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)C1=O 843298985 RVYXQBWJDGKZKC-GFCCVEGCSA-N 347.375 -0.711 10 20 EBCD NC(=O)N=Nc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)C(N)=O)C2)cc1 978942092 NGNOKKXBYAZENA-DKTWLAJQSA-N 346.347 -0.041 10 20 EBCD NC(=O)[C@@]1(O)CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 276485919 MNYYVQULHRVQJJ-HNSSHINMSA-N 345.399 -0.015 10 20 EBCD CN(C)c1ccc([C@@H](N)CNC(=O)CN2CCC(=O)NC2=O)cc1 832273832 QTADIYQURBKWEP-ZDUSSCGKSA-N 333.392 -0.190 10 20 EBCD Nc1nc(N)nc(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 858386626 SOYMCTDANUPJCR-UHFFFAOYSA-N 349.420 -0.117 10 20 EBCD Nc1ccc(CCNC(=O)CCn2cc(S(N)(=O)=O)cn2)cc1 843343159 UWINLZBFBXNVFN-UHFFFAOYSA-N 337.405 -0.138 10 20 EBCD CN(C)c1ccc(CNC(=O)NCCOCCS(N)(=O)=O)cc1 285539841 FWPHCXLEZQNBGV-UHFFFAOYSA-N 344.437 -0.143 10 20 EBCD Nc1ccc(CCNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)cc1 852797006 ZHQBZOOOYWBECC-LBPRGKRZSA-N 326.422 -0.157 10 20 EBCD COc1ccc(N(C)CCN(C)C(=O)c2cn(CC(N)=O)nn2)cc1 844854468 LBJKRQWJIOUEAK-UHFFFAOYSA-N 346.391 -0.020 10 20 EBCD O=C1C[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)NC(=O)N1 856214859 DYDPVECDSKNZSP-AWEZNQCLSA-N 346.387 -0.138 10 20 EBCD NC(=O)NCC(=O)NCCC1=CCN(c2ncnc3[nH]cnc23)CC1 1089804509 KQWZGWWDASDZAZ-UHFFFAOYSA-N 344.379 -0.336 10 20 EBCD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)[C@@H]2C=CCN2)C1 1843332561 VQBJQOMARHRSJY-LBPRGKRZSA-N 344.371 -0.162 10 20 EBCD O=S1(=O)C[C@@H](NCc2ccccc2O)[C@@H](N2CCOCC2)C1 265216774 FVNSPSSXQUJZOB-KGLIPLIRSA-N 326.418 -0.020 10 20 EBCD COc1ccc(CNC[C@@H](O)CNC(=O)[C@@H]2COCCO2)cc1C 1753906098 PUZHUATXYFXIGK-ZBFHGGJFSA-N 338.404 -0.014 10 20 EBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H]2CNC(=O)C2)c1 1348021100 OUVDRAABUKUUBE-MRVPVSSYSA-N 327.362 -0.370 10 20 EBCD COCCCS(=O)(=O)NCC(=O)NCc1cc(OC)ccc1O 770654104 DMBGCKSAXOHQTQ-UHFFFAOYSA-N 346.405 -0.027 10 20 EBCD CN(CCN)C(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 911579056 PDVUJHPVGUKRRR-OAHLLOKOSA-N 335.452 -0.111 10 20 EBCD CN1CCN(c2ccc(CNC(=O)c3cn(CCN)nn3)cc2)CC1 1119316119 CLBSLZDLHGNOLE-UHFFFAOYSA-N 343.435 -0.081 10 20 EBCD C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1nnnn1C 1336715709 JRWOKRZBMUXLGC-ZETCQYMHSA-N 340.365 -0.222 10 20 EBCD CN(C)C(=O)Cn1nc2n(c1=O)CCN(Cc1ccccc1O)C2 276080342 BEDNKGRAUVUHNQ-UHFFFAOYSA-N 331.376 -0.146 10 20 EBCD COc1ccc(N2CCN(C(=O)Cn3nnnc3CN)CC2)cc1 830454644 AJHNVMVCCFEHAH-UHFFFAOYSA-N 331.380 -0.511 10 20 EBCD COc1ccc(N2CCN(C(=O)C(=O)N[C@@H](C)CN)CC2)cc1F 1327551287 OLXKUSFNYQLHRS-NSHDSACASA-N 338.383 -0.054 10 20 EBCD COCCN1C(=O)/C(=C\NNc2ncccc2F)C(=O)NC1=S 794696699 ATVLNPHEKMCFKY-FPLPWBNLSA-N 339.352 -0.089 10 20 EBCD COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](CO)NC(N)=O)C2)cc1 819585887 JHQDBWPASDENRW-SMDDNHRTSA-N 336.392 -0.333 10 20 EBCD O=C(Cn1cnnn1)NCCC1=CCN(c2nccnc2F)CC1 1089800327 JORGRONGTGSFQF-UHFFFAOYSA-N 332.343 -0.055 10 20 EBCD CN1CCN(c2ccc(CNCc3cn(CC(N)=O)nn3)cc2)CC1 1353030243 NPEXOWXBRQIHJP-UHFFFAOYSA-N 343.435 -0.195 10 20 EBCD CN1CCN(c2ccc(CNC(=O)N3C[C@@H](O)[C@H](CO)C3)cc2)CC1 889663282 OADGSOUJKWPCBQ-DOTOQJQBSA-N 348.447 -0.067 10 20 EBCD NC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1084109097 VIDDDNRFHQISTM-MNOVXSKESA-N 334.336 -0.891 10 20 EBCD Cc1cc(N2CC=C(CCNC(=O)CC(N)=O)CC2)n2ncnc2n1 1089821919 CVEZSRUFUASUJK-UHFFFAOYSA-N 343.391 -0.049 10 20 EBCD COC(=O)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H](C)O 274553071 IFBCZKSFIYCKSP-HQJQHLMTSA-N 346.361 -0.584 10 20 EBCD C[C@H](OC(=O)c1cccc(O)c1O)C(=O)N[C@H]1CCS(=O)(=O)C1 784796774 CWMFZHXJIICHJG-IUCAKERBSA-N 343.357 -0.054 10 20 EBCD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CN(C)S(=O)(=O)N(C)C 845930918 OHVGSZLLGMXSGH-JTQLQIEISA-N 345.421 -0.117 10 20 EBCD CNS(=O)(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 286250080 CWENXHCDTMCKEY-UHFFFAOYSA-N 326.422 -0.091 10 20 EBCD CNC[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 851686587 PWGOYWIXPUEJNA-CYBMUJFWSA-N 334.420 -0.137 10 20 EBCD CN1CCN(c2ccc(CNC(=O)[C@H]3CNCCN3C)cc2)CC1 1122208760 ZQOHUMOGFOWOOF-QGZVFWFLSA-N 331.464 -0.042 10 20 EBCD COc1ccc(CNC[C@H](O)CNC(=O)[C@H]2COC(=O)N2)cc1C 1753910375 VUWQDLUBVKYFDQ-QWHCGFSZSA-N 337.376 -0.321 10 20 EBCD O=C(CN1CCNCC1=O)NCc1ccc(N2CCC(O)CC2)cc1 852868430 FFDGMQOWACMKKS-UHFFFAOYSA-N 346.431 -0.304 10 20 EBCD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 767777993 GHLNKOAIGXNWIN-CYBMUJFWSA-N 349.387 -0.116 10 20 EBCD NC(=O)N=Nc1ccc(C(=O)N2C[C@H]3C(NC(=O)C(N)=O)[C@@H]3C2)cc1 1013684448 VDBFNNOSGDQOBW-NXEZZACHSA-N 344.331 -0.479 10 20 EBCD COc1ccc(N2CCN(C[C@H](O)CNCCC(N)=O)CC2)cc1 1120480593 YMKYRYIXVSKRJE-OAHLLOKOSA-N 336.436 -0.357 10 20 EBCD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H](N)CC(=O)O)cc2)C1 1608230351 GFISQJNIESSNOB-JSGCOSHPSA-N 348.403 -0.194 10 20 EBCD COc1ccc(CNC[C@@H](O)CNC(=O)[C@H]2COC(=O)N2)cc1C 1753910373 VUWQDLUBVKYFDQ-CHWSQXEVSA-N 337.376 -0.321 10 20 EBCD CN(C)c1ccc([C@H](CNC(=O)C(=O)NC2CNC2)N(C)C)cc1 911288703 UIULSJCJMYPMFX-HNNXBMFYSA-N 333.436 -0.441 10 20 EBCD COc1ccc(-n2nnnc2CNCCNC(=O)c2cnn[nH]2)cc1 1130746045 YPBPHHNLSWQNRD-UHFFFAOYSA-N 343.351 -0.691 10 20 EBCD O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cc(O)cs1 732281339 ZSXLFRPYMBPUHY-MNOVXSKESA-N 346.430 -0.319 10 20 EBCD CCC(=O)N[C@@H]1CN(Cc2nnnn2-c2ccc(OC)cc2)C[C@H]1O 1076653659 WKOBNSAQUXVQCZ-ZIAGYGMSSA-N 346.391 -0.258 10 20 EBCD COc1cccc(O)c1CN1CCN(C(=O)Cn2cnnn2)CC1 809734210 YMSJXTPTJLLGMQ-UHFFFAOYSA-N 332.364 -0.268 10 20 EBCD N[C@@H](CNC(=O)C(=O)C(=O)C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2)C1CC1 1261423004 LQRBDNQOBIEYGT-IMIFBBOLSA-N 347.415 -0.303 10 20 EBCD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC(=O)NOC 1333295282 HLSUVFQLNYRWHK-UHFFFAOYSA-N 336.392 -0.105 10 20 EBCD CNC(=O)CNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 299506148 PVRKIEGEISCNMX-UHFFFAOYSA-N 349.435 -0.138 10 20 EBCD COc1ccc(N2CCN(CCNC(=O)[C@H](CN)OC)CC2)cc1 289817615 AQNZMKRISUAFAL-INIZCTEOSA-N 336.436 -0.093 10 20 EBCD O=C(CN1CCS(=O)(=O)CC1)OCC(=O)c1ccc(O)c(O)c1 782862817 RUSBBJGBEVLBQC-UHFFFAOYSA-N 343.357 -0.446 10 20 EBCD COc1ccc(N2CCN(CCNC(=O)[C@H](N)CC(N)=O)CC2)cc1 269746848 YIRDSZFTJBAGIX-OAHLLOKOSA-N 349.435 -0.864 10 20 EBCD CN(C)C(=O)CNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 782464717 UCGFLODVHKPRKI-UHFFFAOYSA-N 348.403 -0.656 10 20 EBCD CCOC(=O)c1cnn2c(O)cc(CN[C@]3(C(N)=O)CCOC3)nc12 847054202 OTSPMPUUWIXLDY-OAHLLOKOSA-N 349.347 -0.654 10 20 EBCD O=C(NC[C@@H]1C[C@H]2C=C[C@H]1CC2)C(=O)C(=O)C(=O)N[C@H]1CCCNC1 1118118608 IUFUMIXKZWJAQB-XUXIUFHCSA-N 347.415 -0.289 10 20 EBCD COCC[C@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 281177169 CACFNQINZPTKOP-SNVBAGLBSA-N 332.378 -0.109 10 20 EBCD CN(C)c1ccc(CNC(=O)CN2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 749025470 NOBBXPWTHZLDPQ-AWEZNQCLSA-N 345.403 -0.395 10 20 EBCD COc1ccc(N2CCN(C(=O)/C=C/C(=O)NOCCO)CC2)cc1 787295975 SLBYUWGQDOORHT-VOTSOKGWSA-N 349.387 -0.060 10 20 EBCD C[C@@H](C(=O)NCc1c(O)cccc1O)n1cnc(-c2nn[nH]n2)n1 1573731743 YFEKNTMHOVIHBT-ZETCQYMHSA-N 330.308 -0.253 10 20 EBCD Cn1cnc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)n1 1330351833 VVKRQHHJSVVGRA-UHFFFAOYSA-N 344.375 -0.093 10 20 EBCD O=C(Cn1cnnn1)N1CCN(Cc2cc3c(cc2O)OCO3)CC1 289690520 FLRPKVIXNSSDGJ-UHFFFAOYSA-N 346.347 -0.548 10 20 EBCD C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)NCCF 800598787 YEZPFMHFXNPEMZ-MRVPVSSYSA-N 347.368 -0.032 10 20 EBCD CN(C)c1ccc([C@@H](CNC(=O)C(=O)N[C@H]2CCNC2)N(C)C)cc1 911272693 FAJQBJGBVOTFFJ-GOEBONIOSA-N 347.463 -0.050 10 20 EBCD Cn1nnnc1CNC(=O)c1cc(NS(C)(=O)=O)ccc1O 788602006 KYYPBIPOSAKIBI-UHFFFAOYSA-N 326.338 -0.783 10 20 EBCD C[C@@H](NCCNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)NC(N)=O 1153037984 XUFQKXVARAHBHX-MRVPVSSYSA-N 349.351 -0.248 10 20 EBCD NCC(=O)NCC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 1349081382 DJIPWRPOCOSGQC-ZDUSSCGKSA-N 347.419 -0.921 10 20 EBCD C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1)C(=O)O 848609100 XMNATRNXRUTISR-LBPRGKRZSA-N 349.387 -0.024 10 20 EBCD Cn1c(NCc2ccccc2O)c(-c2nn[nH]n2)c(=O)n(C)c1=O 1592555139 DXTYWEUJPMOBFA-UHFFFAOYSA-N 329.320 -0.418 10 20 EBCD O=C(CCNC(=O)c1cccc(O)c1O)N[C@H]1CCS(=O)(=O)C1 790536946 BEHWEUMVXJIXCY-VIFPVBQESA-N 342.373 -0.479 10 20 EBCD COc1ccc(N2CC[C@H](CNC(=O)C(=O)NCC3CNC3)C2)cc1 818677189 QWVOAYILPCEMGE-CYBMUJFWSA-N 346.431 -0.027 10 20 EBCD CN1CCN(C)[C@H](CNC(=O)C(=O)N(C)Cc2ccccc2O)C1 1342095949 IEZNFNCDPFJFNY-CQSZACIVSA-N 334.420 -0.287 10 20 EBCD CCOC(=O)c1cnn2c(O)cc(CN3CC[C@@](O)(C(N)=O)C3)nc12 276483630 STBLQCWZZBEILJ-HNNXBMFYSA-N 349.347 -0.966 10 20 EBCD CCOC(=O)c1cnn2c(O)cc(CN(CCO)C[C@H](C)O)nc12 289884488 ROEHZWNTADZDBV-JTQLQIEISA-N 338.364 -0.213 10 20 EBCD NC1(CNC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 911204061 RNZHCCOWNGYEOA-UHFFFAOYSA-N 332.404 -0.253 10 20 EBCD COc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3nc[nH]n3)C2)cc(OC)n1 974323848 XCLMBDIUKWPJEB-AOOOYVTPSA-N 346.347 -0.092 10 20 EBCD CNS(=O)(=O)NCC(=O)NCCNCc1ccc(OC)c(C)c1 1131832010 VVOSFHDTZDDAIR-UHFFFAOYSA-N 344.437 -0.737 10 20 EBCD NC(=O)C(=O)NCCC1=CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 1592712322 ANVNZVQDUWJFRV-UHFFFAOYSA-N 342.363 -0.610 10 20 EBCD COC(=O)[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)OC 293887596 DWJCQXHKXRRNSG-NSHDSACASA-N 346.361 -0.319 10 20 EBCD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cccc(O)c1O 1321160380 YIGGHQADPAEFGR-SECBINFHSA-N 342.373 -0.527 10 20 EBCD Cn1nnnc1COC(=O)c1cc(NS(C)(=O)=O)ccc1O 733464945 ZNPCMMRKYMEXSZ-UHFFFAOYSA-N 327.322 -0.356 10 20 EBCD Cn1c(=O)ccn(CC(=O)OCC(=O)c2ccc(O)c(O)c2)c1=O 782777991 ARDKLWNMUJXAHW-UHFFFAOYSA-N 334.284 -0.616 10 20 EBCD NS(=O)(=O)N1CCC[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1 830531495 IUSDQIOYPYERFE-NSHDSACASA-N 343.405 -0.328 10 20 EBCD CCONC(=O)CNC(=O)C(=O)NCCCSc1nccs1 1326646278 PCRFZALQVQEYML-UHFFFAOYSA-N 346.434 -0.075 10 20 EBCD